3IQG
 
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1O4S
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1O8C
 | | CRYSTAL STRUCTURE OF E. COLI K-12 YHDH WITH BOUND NADPH | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, YHDH | | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Pagot, F, Grisel, S, Salamoni, A, Valencia, C, Bignon, C, Vincentelli, R, Tegoni, M, Cambillau, C. | | Deposit date: | 2002-11-26 | | Release date: | 2004-05-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Escherichia Coli Yhdh, a Putative Quinone Oxidoreductase
Acta Crystallogr.,Sect.D, 60, 2004
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1O89
 | | Crystal structure of E. COLI K-12 yhdH | | Descriptor: | YHDH | | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Pagot, F, Grisel, S, Salamoni, A, Valencia, C, Bignon, C, Vincentelli, R, Tegoni, M, Cambillau, C. | | Deposit date: | 2002-11-26 | | Release date: | 2004-02-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of the Escherichia Coli Yhdh, a Putative Quinone Oxidoreductase
Acta Crystallogr.,Sect.D, 60, 2004
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1OHR
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6IND
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.872 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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1O4V
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1SYQ
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3I7B
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1 | | Descriptor: | 1,2-ETHANEDIOL, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | | Deposit date: | 2009-07-08 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.988 Å) | | Cite: | Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
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3GVF
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3GK3
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1PEI
 | | NMR STRUCTURE OF THE MEMBRANE-BINDING DOMAIN OF CTP PHOSPHOCHOLINE CYTIDYLYLTRANSFERASE, 10 STRUCTURES | | Descriptor: | PEPC22 | | Authors: | Dunne, S.J, Cornell, R.B, Johnson, J.E, Glover, N.R, Tracey, A.S. | | Deposit date: | 1996-06-10 | | Release date: | 1996-12-07 | | Last modified: | 2018-03-14 | | Method: | SOLUTION NMR | | Cite: | Structure of the membrane binding domain of CTP:phosphocholine cytidylyltransferase.
Biochemistry, 35, 1996
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6KGW
 | | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with ampicillin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (2.407 Å) | | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
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1PEF
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3I79
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3FGO
 | | Crystal Structure of the E2 magnesium fluoride complex of the (SR) Ca2+-ATPase with bound CPA and AMPPCP | | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Laursen, M, Bublitz, M, Moncoq, K, Olesen, C, Moller, J.V, Young, H.S, Nissen, P, Morth, J.P. | | Deposit date: | 2008-12-08 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Cyclopiazonic acid is complexed to a divalent metal ion when bound to the sarcoplasmic reticulum Ca2+-ATPase.
J.Biol.Chem., 2009
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3F64
 | | F17a-G lectin domain with bound GlcNAc(beta1-O)paranitrophenyl ligand | | Descriptor: | 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, F17a-G | | Authors: | Buts, L, De Boer, A, Olsson, J.D.M, Jonckheere, W, De Kerpel, M, De Genst, E, Guerardel, Y, Willaert, R, Wyns, L, Wuhrer, M, Oscarson, S, De Greve, H, Bouckaert, J. | | Deposit date: | 2008-11-05 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia coli.
Biology (Basel), 2, 2013
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3FFG
 | | Factor XA in complex with the inhibitor (R)-6-(2'-((3- HYDROXYPYRROLIDIN-1-YL)METHYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN- 7(4H)-ONE | | Descriptor: | (R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one, Coagulation factor X, heavy chain, ... | | Authors: | Alexander, R.A. | | Deposit date: | 2008-12-03 | | Release date: | 2009-12-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Phenyltriazolinones as potent factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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1MAK
 | | SOLUTION STRUCTURE OF AN ISOLATED ANTIBODY VL DOMAIN | | Descriptor: | IGG2A-KAPPA 26-10 FV (LIGHT CHAIN) | | Authors: | Constantine, K.L, Friedrichs, M.S, Metzler, W.J, Wittekind, M, Hensley, P, Mueller, L. | | Deposit date: | 1993-09-16 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an isolated antibody VL domain.
J.Mol.Biol., 236, 1994
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3F9P
 | | Crystal structure of myeloperoxidase from human leukocytes | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Carpena, X, Fita, I, Obinger, C. | | Deposit date: | 2008-11-14 | | Release date: | 2009-07-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Essential role of proximal histidine-asparagine interaction in Mammalian peroxidases.
J.Biol.Chem., 284, 2009
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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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3GK0
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3GNW
 | | HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 4c | | Descriptor: | (11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase | | Authors: | Nyanguile, O, De Bondt, H. | | Deposit date: | 2009-03-18 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-based design of a benzodiazepine scaffold yields a potent allosteric inhibitor of hepatitis C NS5B RNA polymerase.
J.Med.Chem., 52, 2009
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3H5S
 | | Hepatitis C virus polymerase NS5B with saccharin inhibitor | | Descriptor: | (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase | | Authors: | Harris, S.F, Wong, A. | | Deposit date: | 2009-04-22 | | Release date: | 2009-09-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides
Bioorg.Med.Chem.Lett., 19, 2009
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1LY3
 | | ANALYSIS OF QUINAZOLINE AND PYRIDOPYRIMIDINE N9-C10 REVERSED BRIDGE ANTIFOLATES IN COMPLEX WITH NADP+ AND PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE | | Descriptor: | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A. | | Deposit date: | 2002-06-06 | | Release date: | 2002-08-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 58, 2002
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