7MJG
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![BU of 7mjg by Molmil](/molmil-images/mine/7mjg) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | Deposit date: | 2021-04-20 | Release date: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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7MJM
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![BU of 7mjm by Molmil](/molmil-images/mine/7mjm) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | Deposit date: | 2021-04-20 | Release date: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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7TVH
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2J94
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![BU of 2j94 by Molmil](/molmil-images/mine/2j94) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | Deposit date: | 2006-11-02 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides. J.Med.Chem., 50, 2007
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2J4I
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![BU of 2j4i by Molmil](/molmil-images/mine/2j4i) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-, ... | Authors: | Young, R.J, Campbell, M, Borthwick, A.D, Brown, D, Chan, C, Convery, M.A, Crowe, M.C, Dayal, S, Diallo, H, Kelly, H.A, Paul King, N, Kleanthous, S, Kurtis, C.L, Mason, A.M, Mordaunt, J.E, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Smith, P.W, Watson, N.S, Weston, H.E, Zhou, P. | Deposit date: | 2006-08-31 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure- and Property-Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Acyclic Alanyl Amides as P4 Motifs. Bioorg.Med.Chem.Lett., 16, 2006
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2J95
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![BU of 2j95 by Molmil](/molmil-images/mine/2j95) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | Deposit date: | 2006-11-02 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides. J.Med.Chem., 50, 2007
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8GS8
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![BU of 8gs8 by Molmil](/molmil-images/mine/8gs8) | cryo-EM structure of the human respiratory complex II | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Du, Z, Zhou, X, Lai, Y, Xu, J, Zhang, Y, Zhou, S, Liu, F, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2022-09-05 | Release date: | 2023-05-10 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structure of the human respiratory complex II. Proc.Natl.Acad.Sci.USA, 120, 2023
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6VFO
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![BU of 6vfo by Molmil](/molmil-images/mine/6vfo) | Solution structure of the PHD of mouse UHRF1 (NP95) | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION | Authors: | Lemak, A, Houliston, S, Duan, S, Arrowsmith, C.H. | Deposit date: | 2020-01-06 | Release date: | 2020-06-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1. Nucleic Acids Res., 48, 2020
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6VEE
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6VED
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![BU of 6ved by Molmil](/molmil-images/mine/6ved) | Solution structure of the TTD and linker region of UHRF1 | Descriptor: | E3 ubiquitin-protein ligase UHRF1 | Authors: | Lemak, A, Houliston, S, Duan, S, Ong, M.S, Arrowsmith, C.H. | Deposit date: | 2019-12-31 | Release date: | 2020-06-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1. Nucleic Acids Res., 48, 2020
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6MLX
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![BU of 6mlx by Molmil](/molmil-images/mine/6mlx) | Crystal structure of T. pallidum Leucine Rich Repeat protein (TpLRR) | Descriptor: | Leucine-rich repeat protein TpLRR | Authors: | Ramaswamy, R, Loveless, B.C, Houston, S, Cameron, C.E, Boulanger, M.J. | Deposit date: | 2018-09-28 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of Treponema pallidum Tp0225 reveals an unexpected leucine-rich repeat architecture. Acta Crystallogr.,Sect.F, 75, 2019
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8PFC
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![BU of 8pfc by Molmil](/molmil-images/mine/8pfc) | Crystal structure of binary complex between Aster yellows witches'-broom phytoplasma effector SAP05 and the zinc finger domain of SPL5 from Arabidopsis thaliana | Descriptor: | Sequence-variable mosaic (SVM) signal sequence domain-containing protein, Squamosa promoter-binding-like protein 5, ZINC ION | Authors: | Huang, W, Liu, Q, Maqbool, A, Stevenson, C.E.M, Lawson, D.M, Kamoun, S, Hogenhout, S.A. | Deposit date: | 2023-06-15 | Release date: | 2023-07-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bimodular architecture of bacterial effector SAP05 that drives ubiquitin-independent targeted protein degradation. Proc.Natl.Acad.Sci.USA, 120, 2023
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8PFD
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![BU of 8pfd by Molmil](/molmil-images/mine/8pfd) | Crystal structure of binary complex between Aster yellows witches'-broom phytoplasma effector SAP05 and the von Willebrand Factor Type A domain of the proteasomal ubiquitin receptor Rpn10 from Arabidopsis thaliana | Descriptor: | 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein | Authors: | Huang, W, Liu, Q, Maqbool, A, Stevenson, C.E.M, Lawson, D.M, Kamoun, S, Hogenhout, S.A. | Deposit date: | 2023-06-15 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Bimodular architecture of bacterial effector SAP05 that drives ubiquitin-independent targeted protein degradation. Proc.Natl.Acad.Sci.USA, 120, 2023
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5FKZ
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![BU of 5fkz by Molmil](/molmil-images/mine/5fkz) | Structure of E.coli Constitutive lysine decarboxylase | Descriptor: | LYSINE DECARBOXYLASE, CONSTITUTIVE | Authors: | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | Deposit date: | 2015-10-20 | Release date: | 2016-09-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava. Sci.Rep., 6, 2016
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6VTI
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![BU of 6vti by Molmil](/molmil-images/mine/6vti) | Solution NMR structure of the N-terminal domain of the Serine/threonine-protein phosphatase 1 regulatory subunit 10, PPP1R10 | Descriptor: | Serine/threonine-protein phosphatase 1 regulatory subunit 10 | Authors: | Lemak, A, Wei, Y, Duan, S, Houliston, S, Penn, L.Z, Arrowsmith, C.H. | Deposit date: | 2020-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The MYC oncoprotein directly interacts with its chromatin cofactor PNUTS to recruit PP1 phosphatase. Nucleic Acids Res., 50, 2022
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8ODQ
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![BU of 8odq by Molmil](/molmil-images/mine/8odq) | SufS-SufU complex from Mycobacterium tuberculosis | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Cysteine desulfurase, NITRATE ION, ... | Authors: | Elchennawi, I, Carpentier, P, Caux, C, Ponge, M, Ollagnier de Choudens, S. | Deposit date: | 2023-03-09 | Release date: | 2023-05-31 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and Biochemical Characterization of Mycobacterium tuberculosis Zinc SufU-SufS Complex. Biomolecules, 13, 2023
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5FKX
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![BU of 5fkx by Molmil](/molmil-images/mine/5fkx) | Structure of E.coli inducible lysine decarboxylase at active pH | Descriptor: | LYSINE DECARBOXYLASE, INDUCIBLE | Authors: | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | Deposit date: | 2015-10-20 | Release date: | 2016-09-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava. Sci.Rep., 6, 2016
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5FL2
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![BU of 5fl2 by Molmil](/molmil-images/mine/5fl2) | Revisited cryo-EM structure of Inducible lysine decarboxylase complexed with LARA domain of RavA ATPase | Descriptor: | ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE | Authors: | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | Deposit date: | 2015-10-21 | Release date: | 2016-09-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava. Sci.Rep., 6, 2016
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7T2F
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![BU of 7t2f by Molmil](/molmil-images/mine/7t2f) | Solution structure of the model HEEH mini protein homodimer HEEH_TK_rd5_0341 | Descriptor: | HEEH mini protein HEEH_TK_rd5_0341 | Authors: | Lemak, A, Houliston, S, Kim, T.-E, Martel, C, Rocklin, G.J, Arrowsmith, C.H. | Deposit date: | 2021-12-04 | Release date: | 2022-10-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation. Proc.Natl.Acad.Sci.USA, 119, 2022
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6VWB
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![BU of 6vwb by Molmil](/molmil-images/mine/6vwb) | Solution structure of the N-terminal helix-hairpin-helix domain of human MUS81 | Descriptor: | Crossover junction endonuclease MUS81 | Authors: | Payliss, B, Houliston, S, Lemak, A, Arrowsmith, C.H, Wyatt, H.D.M. | Deposit date: | 2020-02-19 | Release date: | 2021-02-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease Cell Rep, 41, 2022
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2Y7Z
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![BU of 2y7z by Molmil](/molmil-images/mine/2y7z) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2Y82
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![BU of 2y82 by Molmil](/molmil-images/mine/2y82) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2Y81
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![BU of 2y81 by Molmil](/molmil-images/mine/2y81) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2Y80
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![BU of 2y80 by Molmil](/molmil-images/mine/2y80) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2VH0
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![BU of 2vh0 by Molmil](/molmil-images/mine/2vh0) | Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P. | Deposit date: | 2007-11-16 | Release date: | 2008-11-25 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs. Bioorg. Med. Chem. Lett., 18, 2008
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