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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2CFA
 | | Structure of viral flavin-dependant thymidylate synthase ThyX | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, THYMIDYLATE SYNTHASE | | Authors: | Graziani, S, Bernauer, J, Skouloubris, S, Graille, M, Zhou, C.-Z, Marchand, C, Decottignies, P, van Tilbeurgh, H, Myllykallio, H, Liebl, U. | | Deposit date: | 2006-02-17 | | Release date: | 2006-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Catalytic Mechanism and Structure of Viral Flavin-Dependent Thymidylate Synthase Thyx.
J.Biol.Chem., 281, 2006
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5CM4
 | | Crystal structure of human Frizzled 4 Cysteine-Rich Domain (CRD) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4 | | Authors: | Ke, J, Parker, N, Gu, X, Zhang, C, Melcher, K, Xu, H.E. | | Deposit date: | 2015-07-16 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of the Norrin-Frizzled 4 interaction.
Cell Res., 25, 2015
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1Y2Y
 | | Structural Characterization of Nop10p using Nuclear Magnetic Resonance Spectroscopy | | Descriptor: | Ribosome biogenesis protein Nop10 | | Authors: | Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M, Feigon, J. | | Deposit date: | 2004-11-23 | | Release date: | 2005-12-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA
RNA, 12, 2006
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3II7
 | | Crystal structure of the kelch domain of human KLHL7 | | Descriptor: | 1,2-ETHANEDIOL, Kelch-like protein 7 | | Authors: | Chaikuad, A, Thangaratnarajah, C, Cooper, C.D.O, Ugochukwu, E, Muniz, J.R.C, Krojer, T, Sethi, R, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-31 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural basis for Cul3 protein assembly with the BTB-Kelch family of E3 ubiquitin ligases.
J.Biol.Chem., 288, 2013
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2C63
 | | 14-3-3 Protein Eta (Human) Complexed to Peptide | | Descriptor: | 14-3-3 PROTEIN ETA, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS | | Authors: | Elkins, J.M, Yang, X, Smee, C.E.A, Johansson, C, Sundstrom, M, Edwards, A, Weigelt, J, Arrowsmith, C, Doyle, D.A. | | Deposit date: | 2005-11-07 | | Release date: | 2005-11-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
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2O63
 | | Crystal structure of Pim1 with Myricetin | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-06 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
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3ZLI
 | | Crystal structure of JmjC domain of human histone demethylase UTY | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ... | | Authors: | Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, Raynor, J.W, Bradley, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2013-01-31 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Human Uty(Kdm6C) is a Male-Specific Nepsilon-Methyl Lysyl Demethylase.
J.Biol.Chem., 289, 2014
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3ZPO
 | | Crystal structure of JmjC domain of human histone demethylase UTY with bound GSK J1 | | Descriptor: | 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, FE (II) ION, ... | | Authors: | Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2013-02-28 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human Uty(Kdm6C) is a Male-Specific Nepislon-Methyl Lysyl Demethylase.
J.Biol.Chem., 289, 2014
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3ZYW
 | | Crystal structure of the first glutaredoxin domain of human glutaredoxin 3 (GLRX3) | | Descriptor: | 1,2-ETHANEDIOL, GLUTAREDOXIN-3 | | Authors: | Vollmar, M, Johansson, C, Cocking, R, Krojer, T, Muniz, J.R.C, Kavanagh, K.L, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | | Deposit date: | 2011-08-29 | | Release date: | 2012-02-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal Structure of the First Glutaredoxin Domain of Human Glutaredoxin 3 (Glrx3)
To be Published
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7BYI
 | | Structure of SHMT2 in complex with CBX | | Descriptor: | CARBENOXOLONE, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Li, L, Chen, Y, Lu, D, Zhang, C, Su, D. | | Deposit date: | 2020-04-23 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure of SHMT2 with CBX
To Be Published
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2C9K
 | | Structure of the functional form of the mosquito-larvicidal Cry4Aa toxin from Bacillus thuringiensis at 2.8 A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PESTICIDAL CRYSTAL PROTEIN CRY4AA | | Authors: | Boonserm, P, Mo, M, Angsuthanasombat, C, Lescar, J. | | Deposit date: | 2005-12-13 | | Release date: | 2006-04-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the Functional Form of the Mosquito Larvicidal Cry4Aa Toxin from Bacillus Thuringiensis at 2.8-Angstrom Resolution.
J.Bacteriol., 188, 2006
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2C74
 | | 14-3-3 Protein Eta (Human) Complexed to Peptide | | Descriptor: | 14-3-3 PROTEIN ETA, CITRIC ACID, CONSENSUS PEPTIDE MODE 1 FOR 14-3-3 PROTEINS | | Authors: | Elkins, J.M, Yang, X, Smee, C.E.A, Johansson, C, Sundstrom, M, Edwards, A, Weigelt, J, Arrowsmith, C, Doyle, D.A. | | Deposit date: | 2005-11-17 | | Release date: | 2005-12-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for protein-protein interactions in the 14-3-3 protein family.
Proc. Natl. Acad. Sci. U.S.A., 103, 2006
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2O64
 | | Crystal structure of Pim1 with Quercetagetin | | Descriptor: | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-06 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
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1BVE
 | | HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR, 28 STRUCTURES | | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | | Authors: | Yamazaki, T, Hinck, A.P, Wang, Y.-X, Nicholson, L.K, Torchia, D.A, Wingfield, P, Stahl, S.J, Kaufman, J.D, Chang, C, Domaille, P.J, Lam, P.Y.S. | | Deposit date: | 1996-01-16 | | Release date: | 1996-08-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy.
Protein Sci., 5, 1996
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1ZSY
 | | The structure of human mitochondrial 2-enoyl thioester reductase (CGI-63) | | Descriptor: | GLYCEROL, MITOCHONDRIAL 2-ENOYL THIOESTER REDUCTASE, SULFATE ION | | Authors: | Lukacik, P, Shafqat, N, Kavanagh, K.L, Johansson, C, Smee, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-05-25 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The structure of human mitochondrial 2-enoyl thioester reductase (CGI-63)
To be Published
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1BVG
 | | HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR MINIMIZED AVERAGE STRUCTURE | | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | | Authors: | Yamazaki, T, Hinck, A.P, Wang, Y.-X, Nicholson, L.K, Torchia, D.A, Wingfield, P, Stahl, S.J, Kaufman, J.D, Chang, C, Domaille, P.J, Lam, P.Y.S. | | Deposit date: | 1996-01-16 | | Release date: | 1996-08-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy.
Protein Sci., 5, 1996
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7E48
 | | Crystal structure of InhA in complex with 3-nitropropanoic acid inhibitor | | Descriptor: | 3-NITROPROPANOIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | | Authors: | Songsiriritthigul, C, Hanwarinroj, C, Suttipanta, N, Kamsri, P, Kittakoop, P, Pungpo, P. | | Deposit date: | 2021-02-10 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inhibition of Mycobacterium tuberculosis InhA by 3-nitropropanoic acid.
Proteins, 90, 2022
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4ABN
 | | Crystal structure of full length mouse Strap (TTC5) | | Descriptor: | 1,2-ETHANEDIOL, TETRATRICOPEPTIDE REPEAT PROTEIN 5 | | Authors: | Pike, A.C.W, Bullock, A.N, Kleinekofort, W, Zimmermann, T, Burgess-Brown, N, Sharpe, T.D, Thangaratnarajah, C, Keates, T, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, La Thangue, N.B, Knapp, S. | | Deposit date: | 2011-12-09 | | Release date: | 2012-01-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1ZSV
 | | Crystal structure of human NADP-dependent leukotriene B4 12-hydroxydehydrogenase | | Descriptor: | CHLORIDE ION, NADP-dependent leukotriene B4 12-hydroxydehydrogenase | | Authors: | Turnbull, A.P, Johansson, C, Savitsky, P, Guo, K, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-05-25 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of human NADP-dependent leukotriene B4 12-hydroxydehydrogenase
To be Published
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2O3P
 | | Crystal structure of Pim1 with Quercetin | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-01 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
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2O65
 | | Crystal structure of Pim1 with Pentahydroxyflavone | | Descriptor: | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-06 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
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4AQH
 | | Plasminogen activator inhibitor type-1 in complex with the inhibitor AZ3976 | | Descriptor: | PLASMINOGEN ACTIVATOR INHIBITOR 1, TERT-BUTYL 3-[(4-OXO-3H-PYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]AZETIDINE-1-CARBOXYLATE | | Authors: | Fjellstrom, O, Deinum, J, Sjogren, T, Johansson, C, Geschwindner, S, Nerme, V, Legnehed, A, McPheat, J, Olsson, K, Bodin, C, Gustafsson, D. | | Deposit date: | 2012-04-17 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Characterization of a Small Molecule Inhibitor of Plasminogen Activator Inhibitor Type 1 that Accelerates the Transition Into the Latent Conformation
J.Biol.Chem., 288, 2013
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2VSP
 | | Crystal structure of the fourth PDZ domain of PDZ domain-containing protein 1 | | Descriptor: | PDZ DOMAIN-CONTAINING PROTEIN 1 | | Authors: | Yue, W.W, Shafqat, N, Pilka, E.S, Johansson, C, Murray, J.W, Elkins, J, Roos, A, Cooper, C, Phillips, C, Salah, E, von Delft, F, Doyle, D, Edwards, A, Wikstrom, M, Arrowsmith, C, Bountra, C, Oppermann, U. | | Deposit date: | 2008-04-28 | | Release date: | 2009-03-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal Structure of the Fourth Pdz Domain of Pdz Domain-Containing Protein 1
To be Published
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7XHE
 | | Crystal structure of CBP bromodomain liganded with CCS151 | | Descriptor: | (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-04-08 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
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