2PCP
 
 | | ANTIBODY FAB COMPLEXED WITH PHENCYCLIDINE | | Descriptor: | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE, IMMUNOGLOBULIN | | Authors: | Lim, K, Owens, S.M, Arnold, L, Sacchettini, J.C, Linthicum, D.S. | | Deposit date: | 1998-06-02 | | Release date: | 1999-01-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of monoclonal 6B5 Fab complexed with phencyclidine.
J.Biol.Chem., 273, 1998
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5ECP
 | | Crystal Structure of FIN219-FIP1 complex with JA, MET and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ... | | Authors: | Chen, C.Y, Cheng, Y.S. | | Deposit date: | 2015-10-20 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25001574 Å) | | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2WEX
 | | Crystal structure of human apoM in complex with glycerol 1- myristic acid | | Descriptor: | (2R)-2,3-dihydroxypropyl tetradecanoate, 1,2-ETHANEDIOL, APOLIPOPROTEIN M | | Authors: | Sevvana, M, Ahnstrom, J, Egerer-Sieber, C, Dahlback, B, Muller, Y.A. | | Deposit date: | 2009-04-02 | | Release date: | 2009-09-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Serendipitous Fatty Acid Binding Reveals the Structural Determinants for Ligand Recognition in Apolipoprotein M.
J.Mol.Biol., 393, 2009
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4BRF
 | | Legionella pneumophila NTPDase1 crystal form II (closed) in complex with a distorted orthomolybdate ion and AMP | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | | Deposit date: | 2013-06-04 | | Release date: | 2013-07-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
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3A0F
 | | The crystal structure of Geotrichum sp. M128 xyloglucanase | | Descriptor: | Xyloglucanase | | Authors: | Yaoi, K, Kondo, H, Hiyoshi, A, Noro, N, Sugimoto, H, Tsuda, S, Miyazaki, K. | | Deposit date: | 2009-03-16 | | Release date: | 2009-09-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of a xyloglucan-specific endo-beta-1,4-glucanase from Geotrichum sp. M128 xyloglucanase reveals a key amino acid residue for substrate specificity
Febs J., 276, 2009
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4JCE
 | | L54F Variant of JC Polyomavirus Major Capsid Protein VP1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1 | | Authors: | Stehle, T, Stroh, L.J. | | Deposit date: | 2013-02-21 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Progressive multifocal leukoencephalopathy-associated mutations in the JC polyomavirus capsid disrupt lactoseries tetrasaccharide c binding.
MBio, 4, 2013
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2DJH
 | | Crystal structure of the carboxy-terminal ribonuclease domain of Colicin E5 | | Descriptor: | 2'-DEOXYURIDINE 3'-MONOPHOSPHATE, 2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE, Colicin-E5 | | Authors: | Yajima, S, Inoue, S, Ogawa, T, Nonaka, T, Ohsawa, K, Masaki, H. | | Deposit date: | 2006-04-03 | | Release date: | 2007-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for sequence-dependent recognition of colicin E5 tRNase by mimicking the mRNA-tRNA interaction
Nucleic Acids Res., 34, 2006
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3F7Q
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7ENT
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4JE5
 | | Crystal structure of the aromatic aminotransferase Aro8, a putative alpha-aminoadipate aminotransferase in Saccharomyces cerevisiae | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aromatic/aminoadipate aminotransferase 1, ... | | Authors: | Bulfer, S.L, Brunzelle, J.S, Trievel, R.C. | | Deposit date: | 2013-02-26 | | Release date: | 2013-09-11 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.909 Å) | | Cite: | Crystal structure of Saccharomyces cerevisiae Aro8, a putative alpha-aminoadipate aminotransferase.
Protein Sci., 22, 2013
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3LXH
 | | Crystal Structure of Cytochrome P450 CYP101D1 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Cytochrome P450, PHOSPHATE ION, ... | | Authors: | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | | Deposit date: | 2010-02-25 | | Release date: | 2010-06-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
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6KK5
 | | Crystal structure of Zika NS2B-NS3 protease with compound 15 | | Descriptor: | 1-[(5~{S},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, NS3 protease, Serine protease subunit NS2B | | Authors: | Quek, J.P. | | Deposit date: | 2019-07-23 | | Release date: | 2020-06-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
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6IC5
 | | Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2 | | Descriptor: | (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | | Deposit date: | 2018-12-02 | | Release date: | 2019-04-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
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6ICZ
 | | Cryo-EM structure of a human post-catalytic spliceosome (P complex) at 3.0 angstrom | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | | Authors: | Zhang, X, Zhan, X, Yan, C, Shi, Y. | | Deposit date: | 2018-09-07 | | Release date: | 2019-03-13 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019
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1WBT
 | | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | | Descriptor: | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | | Deposit date: | 2004-11-05 | | Release date: | 2005-11-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
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5ECN
 | | Crystal Structure of FIN219-FIP1 complex with JA, Leu and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ... | | Authors: | Chen, C.Y, Cheng, Y.S. | | Deposit date: | 2015-10-20 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5EDS
 | | Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5 | | Descriptor: | 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2015-10-21 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016
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5TZR
 | | GPR40 in complex with partial agonist MK-8666 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ... | | Authors: | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | | Deposit date: | 2016-11-22 | | Release date: | 2017-06-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
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5QIM
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1H41
 | | Pseudomonas cellulosa E292A alpha-D-glucuronidase mutant complexed with aldotriuronic acid | | Descriptor: | 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid, ALPHA-GLUCURONIDASE, ... | | Authors: | Nurizzo, D, Nagy, T, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2002-09-25 | | Release date: | 2003-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Alpha-Glucuronidase,Glca67A,of Cellvibrio Japonicus Utilizes the Carboxylate and Methyl Groups of Aldobiouronic Acid as Important Substrate Recognition Determinants
J.Biol.Chem., 278, 2003
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3A22
 | | Crystal Structure of beta-L-Arabinopyranosidase complexed with L-arabinose | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Fujimoto, Z, Ichinose, H, Kaneko, S. | | Deposit date: | 2009-04-27 | | Release date: | 2009-07-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A beta-l-Arabinopyranosidase from Streptomyces avermitilis is a novel member of glycoside hydrolase family 27.
J.Biol.Chem., 284, 2009
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4APP
 | | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide | | Descriptor: | GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4 | | Authors: | Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W. | | Deposit date: | 2012-04-04 | | Release date: | 2012-06-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
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6F25
 | | Crystal structure of human acetylcholinesterase in complex with C35. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dias, J, Nachon, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-12-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.05199647 Å) | | Cite: | New evidence for dual binding site inhibitors of acetylcholinesterase as improved drugs for treatment of Alzheimer's disease.
Neuropharmacology, 155, 2019
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7BEJ
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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2PRK
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