1VXD
| NATIVE SPERM WHALE MYOGLOBIN | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Yang, F, Phillips Jr, G.N. | Deposit date: | 1996-01-09 | Release date: | 1996-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of CO-, deoxy- and met-myoglobins at various pH values. J.Mol.Biol., 256, 1996
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3QQ0
| Crystal structure of a deletion mutant (N59) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ... | Authors: | Allison, T.M, Jameson, G.B, Parker, E.J. | Deposit date: | 2011-02-14 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase Biochemistry, 50, 2011
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1VXG
| NATIVE SPERM WHALE MYOGLOBIN | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Yang, F, Phillips Jr, G.N. | Deposit date: | 1996-01-09 | Release date: | 1996-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of CO-, deoxy- and met-myoglobins at various pH values. J.Mol.Biol., 256, 1996
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1VXF
| NATIVE SPERM WHALE MYOGLOBIN | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yang, F, Phillips Jr, G.N. | Deposit date: | 1996-01-09 | Release date: | 1996-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of CO-, deoxy- and met-myoglobins at various pH values. J.Mol.Biol., 256, 1996
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1VXH
| NATIVE SPERM WHALE MYOGLOBIN | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Yang, F, Phillips Jr, G.N. | Deposit date: | 1996-01-09 | Release date: | 1996-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of CO-, deoxy- and met-myoglobins at various pH values. J.Mol.Biol., 256, 1996
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1Q36
| EPSP synthase (Asp313Ala) liganded with tetrahedral reaction intermediate | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, 5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID, FORMIC ACID | Authors: | Eschenburg, S, Kabsch, W, Healy, M.L, Schonbrunn, E. | Deposit date: | 2003-07-28 | Release date: | 2003-12-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A New View of the Mechanisms of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) and 5-Enolpyruvylshikimate-3-phosphate Synthase (AroA) Derived from X-ray Structures of Their Tetrahedral Reaction Intermediate States. J.Biol.Chem., 278, 2003
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6FS2
| MCL1 in complex with indole acid ligand | Descriptor: | 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Hargreaves, D. | Deposit date: | 2018-02-18 | Release date: | 2018-12-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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6ZCK
| Coxsackievirus B4 in complex with capsid binder compound 48 | Descriptor: | 4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Flatt, J.W, Domanska, A, Butcher, S.J. | Deposit date: | 2020-06-11 | Release date: | 2021-03-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Identification of a conserved virion-stabilizing network inside the interprotomer pocket of enteroviruses. Commun Biol, 4, 2021
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5DF6
| Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, UNKNOWN ATOM OR ION, txnip | Authors: | Dong, A, Li, W, Tempel, W, Liu, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-08-26 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP. Biochem.J., 473, 2016
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6NJN
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4CPP
| CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION | Descriptor: | ADAMANTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Raag, R, Poulos, T.L. | Deposit date: | 1990-05-18 | Release date: | 1991-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation. Biochemistry, 30, 1991
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6H1S
| Structure of the BM3 heme domain in complex with fluconazole | Descriptor: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Jeffreys, L.N, Munro, A.W.M, Leys, D. | Deposit date: | 2018-07-12 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs. Sci Rep, 9, 2019
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1O7L
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1K6N
| E(L212)A,D(L213)A Double Mutant Structure of Photosynthetic Reaction Center from Rhodobacter Sphaeroides | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | Pokkuluri, P.R, Laible, P.D, Deng, Y.-L, Wong, T.N, Hanson, D.K, Schiffer, M. | Deposit date: | 2001-10-16 | Release date: | 2002-08-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The structure of a mutant photosynthetic reaction center shows unexpected changes in main chain orientations and quinone position. Biochemistry, 41, 2002
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1A38
| 14-3-3 PROTEIN ZETA BOUND TO R18 PEPTIDE | Descriptor: | 14-3-3 PROTEIN ZETA, R18 PEPTIDE (PHCVPRDLSWLDLEANMCLP) | Authors: | Petosa, C, Masters, S.C, Pohl, J, Wang, B, Fu, H, Liddington, R.C. | Deposit date: | 1998-01-28 | Release date: | 1999-03-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | 14-3-3zeta binds a phosphorylated Raf peptide and an unphosphorylated peptide via its conserved amphipathic groove. J.Biol.Chem., 273, 1998
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8SZ6
| PmHMGR bound to mevaldehyde and CoA | Descriptor: | (3R)-3,5,5-trihydroxy-3-methylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, Mevaldyl-Coenzyme A, ... | Authors: | Purohit, V, Stauffacher, C.V, Steussy, C.N. | Deposit date: | 2023-05-27 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography. Biophys.J., 123, 2024
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1DW3
| STRUCTURE OF A REDUCED OXYGEN BINDING CYTOCHROME C | Descriptor: | CYTOCHROME C, HEME C | Authors: | Leys, D, Backers, K, Meyer, T.E, Hagen, W.R, Cusanovich, M.A, Van Beeumen, J.J. | Deposit date: | 2000-01-24 | Release date: | 2000-06-28 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of an oxygen-binding cytochrome c from Rhodobacter sphaeroides. J.Biol.Chem., 275, 2000
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6NP0
| Cryo-EM structure of 5HT3A receptor in presence of granisetron | Descriptor: | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Basak, S, Chakrapani, S. | Deposit date: | 2019-01-17 | Release date: | 2019-07-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Molecular mechanism of setron-mediated inhibition of full-length 5-HT3Areceptor. Nat Commun, 10, 2019
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1YYT
| D100E Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-azabisabolene | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | Deposit date: | 2005-02-25 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants. Biochemistry, 44, 2005
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1DW2
| STRUCTURE OF THE NITRIC OXIDE COMPLEX OF REDUCED SHP, AN OXYGEN BINDING CYTOCHROME C | Descriptor: | CYTOCHROME C, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leys, D, Backers, K, Meyer, T.E, Hagen, W.R, Cusanovich, M.A, Van Beeumen, J.J. | Deposit date: | 2000-01-24 | Release date: | 2000-06-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of an oxygen-binding cytochrome c from Rhodobacter sphaeroides. J.Biol.Chem., 275, 2000
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6NJM
| Architecture and subunit arrangement of native AMPA receptors | Descriptor: | 15F1 Fab heavy chain, 15F1 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gouaux, E, Zhao, Y. | Deposit date: | 2019-01-03 | Release date: | 2019-04-24 | Last modified: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Architecture and subunit arrangement of native AMPA receptors elucidated by cryo-EM. Science, 364, 2019
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7UG1
| CDK2 liganded with para chloro ANS | Descriptor: | 1,2-ETHANEDIOL, 8-(4-chloroanilino)naphthalene-1-sulfonic acid, Cyclin-dependent kinase 2, ... | Authors: | Schonbrunn, E, Martin, M. | Deposit date: | 2022-03-23 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Allosteric inhibitors of CDK2 To Be Published
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7O18
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET282 | Descriptor: | (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2021-03-28 | Release date: | 2021-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression. J.Med.Chem., 64, 2021
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1JXK
| Role of ethe mobile loop in the mehanism of human salivary amylase | Descriptor: | Alpha-amylase, salivary, CALCIUM ION, ... | Authors: | Ramasubbu, N, Ragunath, C, Wang, Z. | Deposit date: | 2001-09-07 | Release date: | 2001-09-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the role of a mobile loop in substrate binding and enzyme activity of human salivary amylase J.Mol.Biol., 325, 2003
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3WN4
| Crystal structure of human TLR8 in complex with DS-877 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butylfuro[2,3-c]quinolin-4-amine, Toll-like receptor 8, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2013-12-02 | Release date: | 2014-02-19 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure-based design of novel human Toll-like receptor 8 agonists. Chemmedchem, 9, 2014
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