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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3OM2
 | | Crystal structure of B. megaterium levansucrase mutant D257A | | Descriptor: | CALCIUM ION, CITRIC ACID, Levansucrase, ... | | Authors: | Strube, C.P, Homann, A, Gamer, M, Jahn, D, Seibel, J, Heinz, D.W. | | Deposit date: | 2010-08-26 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Polysaccharide Synthesis of the Levansucrase SacB from Bacillus megaterium Is Controlled by Distinct Surface Motifs.
J.Biol.Chem., 286, 2011
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7XT8
 | | Serotonin 4 (5-HT4) receptor-Gs-Nb35 complex | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | | Deposit date: | 2022-05-16 | | Release date: | 2022-07-27 | | Last modified: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
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7XT9
 | | Serotonin 4 (5-HT4) receptor-Gs complex | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | | Deposit date: | 2022-05-16 | | Release date: | 2022-07-27 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
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3ONI
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1 | | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain containing 2, ... | | Authors: | Filippakopoulos, P, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-29 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Selective inhibition of BET bromodomains.
Nature, 468, 2010
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2Y7K
 | | DntR Inducer Binding Domain in Complex with Salicylate. Monoclinic crystal form | | Descriptor: | 2-HYDROXYBENZOIC ACID, LYSR-TYPE REGULATORY PROTEIN | | Authors: | Devesse, L, Smirnova, I, Lonneborg, R, Kapp, U, Brzezinski, P, Leonard, G.A, Dian, C. | | Deposit date: | 2011-01-31 | | Release date: | 2011-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structures of Dntr Inducer Binding Domains in Complex with Salicylate Offer Insights Into the Activation of Lysr-Type Transcriptional Regulators.
Mol.Microbiol., 81, 2011
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3OPD
 | | Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a benzamide derivative | | Descriptor: | 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide, Heat shock protein 83 | | Authors: | Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Chamberlain, K, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
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5Z9S
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3OQ7
 | | Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants | | Descriptor: | HIV-1 Protease | | Authors: | Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C. | | Deposit date: | 2010-09-02 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
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3OQA
 | | Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants | | Descriptor: | HIV-1 Protease | | Authors: | Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C. | | Deposit date: | 2010-09-02 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
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5YWP
 | | JEV-2H4 Fab complex | | Descriptor: | 2H4 heavy chain, 2H4 light chain, JEV E protein, ... | | Authors: | Qiu, X.D, Lei, Y.F, Yang, P, Gao, Q, WANG, N, Cao, L, Yuan, S, Wang, X.X, Xu, Z.K, Rao, Z.H. | | Deposit date: | 2017-11-29 | | Release date: | 2018-05-02 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
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2YOG
 | | Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor | | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea, THYMIDYLATE KINASE | | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | | Deposit date: | 2012-10-24 | | Release date: | 2013-07-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
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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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3ONL
 | | yeast Ent3_ENTH-Vti1p_Habc complex structure | | Descriptor: | Epsin-3, t-SNARE VTI1 | | Authors: | Wang, J, Fang, P, Niu, L, Teng, M. | | Deposit date: | 2010-08-29 | | Release date: | 2011-07-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Epsin N-terminal homology domains bind on opposite sides of two SNAREs
Proc.Natl.Acad.Sci.USA, 108, 2011
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7YG4
 | | Structure of WTAP-VIRMA in the m6A writer complex | | Descriptor: | Pre-mRNA-splicing regulator WTAP, Protein virilizer homolog | | Authors: | Yan, X.H, Guan, Z.Y, Tang, C, Yin, P. | | Deposit date: | 2022-07-11 | | Release date: | 2022-11-23 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | AI-empowered integrative structural characterization of m 6 A methyltransferase complex.
Cell Res., 32, 2022
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3OP3
 | | Crystal Structure of Cell Division Cycle 25C Protein Isoform A from Homo sapiens | | Descriptor: | M-phase inducer phosphatase 3, SULFATE ION | | Authors: | Kim, Y, Weger, A, Hatzos, C, Savitsky, P, Johansson, C, Ball, L, Barr, A, Vollmar, M, Muniz, J, Weigelt, J, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, von Delft, F, Knapp, S, Joachimiak, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Crystal Structure of Cell Division Cycle 25C Protein Isoform A from Homo sapiens
TO BE PUBLISHED
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2YPJ
 | | Non-catalytic carbohydrate binding module CBM65B | | Descriptor: | ENDOGLUCANASE CEL5A, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Luis, A.S, Venditto, I, Prates, J.A.M, Ferreira, L.M.A, Temple, M.J, Rogowski, A, Basle, A, Xue, J, Knox, J.P, Gilbert, H.J, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2012-10-30 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Understanding How Non-Catalytic Carbohydrate Binding Modules Can Display Specificity for Xyloglucan
J.Biol.Chem., 288, 2013
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3ONK
 | | yeast Ent3_ENTH domain | | Descriptor: | Epsin-3 | | Authors: | Wang, J, Fang, P, Niu, L, Teng, M. | | Deposit date: | 2010-08-29 | | Release date: | 2011-07-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Epsin N-terminal homology domains bind on opposite sides of two SNAREs
Proc.Natl.Acad.Sci.USA, 108, 2011
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2YD8
 | | Crystal structure of the N-terminal Ig1-2 module of Human Receptor Protein Tyrosine Phosphatase LAR in complex with sucrose octasulphate | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE F | | Authors: | Coles, C.H, Shen, Y, Tenney, A.P, Siebold, C, Sutton, G.C, Lu, W, Gallagher, J.T, Jones, E.Y, Flanagan, J.G, Aricescu, A.R. | | Deposit date: | 2011-03-18 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Proteoglycan-Specific Molecular Switch for Rptp Sigma Clustering and Neuronal Extension.
Science, 332, 2011
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3OQS
 | | Crystal structure of importin-alpha bound to a CLIC4 NLS peptide | | Descriptor: | Importin subunit alpha-2, peptide of Chloride intracellular channel protein 4 | | Authors: | Mynott, A.V, Brown, L.J, Harrop, S.J, Curmi, P.M.G. | | Deposit date: | 2010-09-03 | | Release date: | 2011-07-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of importin-alpha bound to a peptide bearing the nuclear localisation signal from chloride intracellular channel protein 4
Febs J., 278, 2011
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7Y75
 | | SIT1-ACE2-BA.2 RBD | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shen, Y.P, Li, Y.N, Zhang, Y.Y, Yan, R.H. | | Deposit date: | 2022-06-21 | | Release date: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of ACE2-SIT1 recognized by Omicron variants of SARS-CoV-2.
Cell Discov, 8, 2022
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5WF2
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5W8R
 | | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI | | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-22 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
To be published
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5WJ5
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2X60
 | | Crystal structure of T. maritima GDP-mannose pyrophosphorylase in complex with GTP. | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MANNOSE-1-PHOSPHATE GUANYLYLTRANSFERASE | | Authors: | Pelissier, M.C, Lesley, S, Kuhn, P, Bourne, Y. | | Deposit date: | 2010-02-12 | | Release date: | 2010-06-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Insights Into the Catalytic Mechanism of Bacterial Guanosine-Diphospho-D-Mannose Pyrophosphorylase and its Regulation by Divalent Ions.
J.Biol.Chem., 285, 2010
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