3LXJ
 
 | | Crystal Structure of the Bromodomain of Human AAA domain containing 2B (ATAD2B) | | Descriptor: | ATPase family AAA domain-containing protein 2B, ISOPROPYL ALCOHOL | | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, Fedorov, O, Krojer, T, Vollmar, M, Muniz, J, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-02-25 | | Release date: | 2010-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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8H61
 | | Ketoreductase CpKR mutant - M2 | | Descriptor: | Mutant M2 of ketoreductase CpKR, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Chen, C, Pan, J, Xu, J.H. | | Deposit date: | 2022-10-14 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Computational redesign of a robust ketoreductase for asymmetric synthesis of enantiopure diltiazem precursor.
To Be Published
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5DYA
 | | Crystal structure of the human BRPF1 bromodomain in complex with SEED5 | | Descriptor: | (2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid, NITRATE ION, Peregrin | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2015-09-24 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
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4P13
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5EBG
 | | Crystal structure of bovine CD8aa homodimer | | Descriptor: | T-cell surface glycoprotein CD8 alpha chain | | Authors: | Liu, Y, Li, X, Zhang, N, Qi, J, Xia, C. | | Deposit date: | 2015-10-19 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species.
Sci Rep, 6, 2016
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1A7C
 | | HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-ribopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PENTAPEPTIDE, ... | | Authors: | Xue, Y, Inghardt, T, Sjolin, L, Deinum, J. | | Deposit date: | 1998-03-12 | | Release date: | 1999-03-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Interfering with the inhibitory mechanism of serpins: crystal structure of a complex formed between cleaved plasminogen activator inhibitor type 1 and a reactive-centre loop peptide
Structure, 6, 1998
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4P43
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8H4R
 | | The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, G1/S-specific cyclin-E1, ... | | Authors: | Gui, W, Wang, F, Cheng, W, Gao, J, Huang, Y, Ouyang, Z. | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus
To Be Published
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1AE1
 | | TROPINONE REDUCTASE-I COMPLEX WITH NADP | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TROPINONE REDUCTASE-I | | Authors: | Nakajima, K, Yamashita, A, Akama, H, Nakatsu, T, Kato, H, Hashimoto, T, Oda, J, Yamada, Y. | | Deposit date: | 1997-10-23 | | Release date: | 1998-11-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of two tropinone reductases: different reaction stereospecificities in the same protein fold.
Proc.Natl.Acad.Sci.USA, 95, 1998
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5DK8
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1AJ0
 | | CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE | | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, DIHYDROPTEROATE SYNTHASE, SULFANILAMIDE, ... | | Authors: | Achari, A, Somers, D.O, Champness, J.N, Bryant, P.K, Rosemond, J, Stammers, D.K. | | Deposit date: | 1997-05-14 | | Release date: | 1998-05-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase.
Nat.Struct.Biol., 4, 1997
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8HLG
 | | Crystal structure of MoaE | | Descriptor: | Molybdenum cofactor biosynthesis protein D/E, SULFATE ION | | Authors: | Cai, J, Zhao, Y. | | Deposit date: | 2022-11-30 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | MoaE Is Involved in Response to Oxidative Stress in Deinococcus radiodurans.
Int J Mol Sci, 24, 2023
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1WOH
 | | Crystal Structure of Agmatinase Reveals Structural Conservation and Inhibition Mechanism of the Ureohydrolase Superfamily | | Descriptor: | agmatinase | | Authors: | Ahn, H.J, Kim, K.H, Lee, J, Ha, J.-Y, Lee, H.H, Kim, D, Yoon, H.-J, Kwon, A.-R, Suh, S.W. | | Deposit date: | 2004-08-18 | | Release date: | 2004-09-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of agmatinase reveals structural conservation and inhibition mechanism of the ureohydrolase superfamily
J.Biol.Chem., 279, 2004
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1AIL
 | | N-TERMINAL FRAGMENT OF NS1 PROTEIN FROM INFLUENZA A VIRUS | | Descriptor: | NONSTRUCTURAL PROTEIN NS1 | | Authors: | Liu, J, Lynch, P.A, Chien, C, Montelione, G.T, Krug, R.M, Berman, H.M. | | Deposit date: | 1997-04-21 | | Release date: | 1997-10-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the unique RNA-binding domain of the influenza virus NS1 protein.
Nat.Struct.Biol., 4, 1997
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4P3U
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4PEO
 | | Crystal structure of a hypothetical protein from Staphylococcus aureus. | | Descriptor: | Hypothetical protein | | Authors: | McGrath, T.E, Kisselman, G, Romanov, V, Wu-Brown, J, Soloveychik, M, Chan, T.S.Y, Gordon, R.D, Thambipillai, D, Dharamsi, A, Mansoury, K, Battaile, K.P, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-04-24 | | Release date: | 2015-05-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure of a hypothetical protein from Staphylococcus aureus.
To Be Published
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4P4C
 | | Human EphA3 Kinase domain in complex with quinoxaline derivatives | | Descriptor: | 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, EPH receptor A3 | | Authors: | Dong, J, Caflisch, A. | | Deposit date: | 2014-03-12 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014
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1A4O
 | | 14-3-3 PROTEIN ZETA ISOFORM | | Descriptor: | 14-3-3 PROTEIN ZETA | | Authors: | Liu, D, Bienkowska, J, Petosa, C, Collier, R.J, Fu, H, Liddington, R.C. | | Deposit date: | 1998-02-01 | | Release date: | 1999-03-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the zeta isoform of the 14-3-3 protein.
Nature, 376, 1995
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5E8E
 | | Crystal structure of thrombin bound to an exosite 1-specific IgA Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | Authors: | Baglin, T.P, Langdown, J, Frasson, R, Huntington, J.A. | | Deposit date: | 2015-10-14 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and characterization of an antibody directed against exosite I of thrombin.
J.Thromb.Haemost., 14, 2016
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1WSD
 | | Alkaline M-protease form I crystal structure | | Descriptor: | CALCIUM ION, M-protease, SULFATE ION | | Authors: | Shirai, T, Suzuki, A, Yamane, T, Ashida, T, Kobayashi, T, Hitomi, J, Ito, S. | | Deposit date: | 2004-11-05 | | Release date: | 2004-11-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-resolution crystal structure of M-protease: phylogeny aided analysis of the high-alkaline adaptation mechanism
Protein Eng., 10, 1997
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5E5W
 | | Hemagglutinin-esterase-fusion mutant structure of influenza D virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ... | | Authors: | Song, H, Qi, J, Shi, Y, Gao, G.F. | | Deposit date: | 2015-10-09 | | Release date: | 2016-03-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
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5E93
 | | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0071 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, CACODYLATE ION, ... | | Authors: | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | | Deposit date: | 2015-10-14 | | Release date: | 2016-10-19 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
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5E78
 | | Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep | | Descriptor: | 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane, Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, ... | | Authors: | Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U. | | Deposit date: | 2015-10-12 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic insights into a cobalt (III) sepulchrate based alternative cofactor system of P450 BM3 monooxygenase.
Biochim. Biophys. Acta, 1866, 2018
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4PGZ
 | | Structural basis of KIT activation by oncogenic mutations in the extracellular region reveals a zipper-like mechanism for ligand-dependent or oncogenic receptor tyrosine kinase activation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Mast/stem cell growth factor receptor Kit | | Authors: | Reshetnyak, A.V, Boggon, T.J, Lax, I, Schlessinger, J. | | Deposit date: | 2014-05-03 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The strength and cooperativity of KIT ectodomain contacts determine normal ligand-dependent stimulation or oncogenic activation in cancer.
Mol.Cell, 57, 2015
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4P7E
 | | Triazolopyridine compounds as selective JAK1 inhibitors: from hit identification to GLPG0634 | | Descriptor: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Menet, C.C.J, Fletcher, S, Van Lommen, G, Geney, R, Blanc, J, Smits, K, Jouannigot, N, van der Aar, E.M, Clement-Lacroix, P, Lepescheux, L, Galien, R, Vayssiere, B, Nelles, L, Christophe, T, Brys, R, Uhring, M, Ciesielski, F, Van Rompaey, L. | | Deposit date: | 2014-03-27 | | Release date: | 2014-11-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Triazolopyridines as Selective JAK1 Inhibitors: From Hit Identification to GLPG0634.
J.Med.Chem., 57, 2014
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