3TEA
| Crystal structure of Arthrobacter sp. strain su 4-hydroxybenzoyl CoA thioesterase double mutant Q58E/E73A complexed with 4-hydroxyphenacyl CoA | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | Deposit date: | 2011-08-12 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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1P81
| Crystal structure of the D181E variant of catalase HPII from E. coli | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII | Authors: | Chelikani, P, Carpena, X, Fita, I, Loewen, P.C. | Deposit date: | 2003-05-06 | Release date: | 2003-09-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | An electrical potential in the access channel of catalases enhances catalysis J.Biol.Chem., 278, 2003
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2EA1
| Crystal structure of Ribonuclease I from Escherichia coli COMPLEXED WITH GUANYLYL-2(PRIME),5(PRIME)-GUANOSINE | Descriptor: | GUANYLYL-2',5'-PHOSPHOGUANOSINE, Ribonuclease I | Authors: | Zhou, K, Pan, J, Padmanabhan, S, Lim, R.W, Lim, L.W. | Deposit date: | 2007-01-29 | Release date: | 2008-01-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Ribonuclease I from Escherichia Coli Complexed with Guanylyl-2(Prime),5(Prime)-Guanosine at 1.80 Angstroms Resolution To be Published
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6K86
| The closed state of RGLG1 mutant-E378A | Descriptor: | E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION, SODIUM ION | Authors: | Wang, Q, Wu, Y. | Deposit date: | 2019-06-11 | Release date: | 2020-06-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | The closed state of RGLG1 mutant-E378A To Be Published
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6K8B
| The open state of RGLG1 VWA domain | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION | Authors: | Wang, Q, Wu, Y. | Deposit date: | 2019-06-11 | Release date: | 2020-06-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | The open state of RGLG1 VWA domain To Be Published
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1DLQ
| STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 INHIBITED BY BOUND MERCURY | Descriptor: | CATECHOL 1,2-DIOXYGENASE, FE (III) ION, MERCURY (II) ION, ... | Authors: | Vetting, M.W, Ohlendorf, D.H. | Deposit date: | 1999-12-11 | Release date: | 2000-05-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The 1.8 A crystal structure of catechol 1,2-dioxygenase reveals a novel hydrophobic helical zipper as a subunit linker. Structure Fold.Des., 8, 2000
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5QCK
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid | Descriptor: | 1,2-ETHANEDIOL, 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | Authors: | Sheriff, S. | Deposit date: | 2017-08-10 | Release date: | 2017-11-08 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
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4XFB
| cysteine dioxygenase variant - C93A at pH 8.0 unliganded | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION | Authors: | Driggers, C.M, Karplus, P.A. | Deposit date: | 2014-12-26 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase. J. Mol. Biol., 428, 2016
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1DCP
| DCOH, A BIFUNCTIONAL PROTEIN-BINDING TRANSCRIPTIONAL COACTIVATOR, COMPLEXED WITH BIOPTERIN | Descriptor: | 7,8-DIHYDROBIOPTERIN, DCOH | Authors: | Cronk, J.D, Endrizzi, J.A, Alber, T. | Deposit date: | 1996-05-16 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High-resolution structures of the bifunctional enzyme and transcriptional coactivator DCoH and its complex with a product analogue. Protein Sci., 5, 1996
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2QDI
| Drosophila OBP LUSH D118A mutation | Descriptor: | General odorant-binding protein lush, TRIETHYLENE GLYCOL | Authors: | Laughlin, J.D, Jones, D.N.M. | Deposit date: | 2007-06-20 | Release date: | 2008-06-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Activation of pheromone-sensitive neurons is mediated by conformational activation of pheromone-binding protein. Cell(Cambridge,Mass.), 133, 2008
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1DVN
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5C5A
| Crystal Structure of HDM2 in complex with Nutlin-3a | Descriptor: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ... | Authors: | Orts, J, Waelti, M.A, Marsh, M, Vera, L, Gossert, A.D, Guentert, P, Riek, R. | Deposit date: | 2015-06-19 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.146 Å) | Cite: | NMR Molecular Replacement, NMR2 To Be Published
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2E2D
| Flexibility and variability of TIMP binding: X-ray structure of the complex between collagenase-3/MMP-13 and TIMP-2 | Descriptor: | CALCIUM ION, Matrix metallopeptidase 13, Metalloproteinase inhibitor 2, ... | Authors: | Maskos, K, Lang, R, Tschesche, H, Bode, W. | Deposit date: | 2006-11-11 | Release date: | 2007-03-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Flexibility and Variability of TIMP Binding: X-ray Structure of the Complex Between Collagenase-3/MMP-13 and TIMP-2 J.Mol.Biol., 366, 2007
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2WN9
| Crystal structure of Aplysia ACHBP in complex with 4-0H-DMXBA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL, SOLUBLE ACETYLCHOLINE RECEPTOR, ... | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | Deposit date: | 2009-07-07 | Release date: | 2009-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor. Embo J., 28, 2009
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7DLS
| Cytochrome P450 (CYP105D18) complex with papaverine | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Do, H, Lee, J.H. | Deposit date: | 2020-11-30 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Characterization of high-H 2 O 2 -tolerant bacterial cytochrome P450 CYP105D18: insights into papaverine N-oxidation. Iucrj, 8, 2021
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7DI3
| Cytochrome P450 (CYP105D18) W.T. | Descriptor: | Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Do, H, Lee, J.H. | Deposit date: | 2020-11-18 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Characterization of high-H 2 O 2 -tolerant bacterial cytochrome P450 CYP105D18: insights into papaverine N-oxidation. Iucrj, 8, 2021
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1RTZ
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1RQN
| Phosphonoacetaldehyde hydrolase complexed with magnesium | Descriptor: | MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase | Authors: | Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2003-12-05 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray crystallographic and site-directed mutagenesis
analysis of the mechanism of Schiff-base formation in
phosphonoacetaldehyde hydrolase catalysis J.Biol.Chem., 279, 2004
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5MWT
| Galectin-1 in Complex with Ligand JB97 | Descriptor: | BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ... | Authors: | Grimm, C, Bechold, J. | Deposit date: | 2017-01-19 | Release date: | 2018-02-14 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.711 Å) | Cite: | Structural insights into the redesign of a sucrose phosphorylase by induced loop repositioning To Be Published
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4G9L
| Structure of MMP3 complexed with NNGH inhibitor. | Descriptor: | CALCIUM ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, Stromelysin-1, ... | Authors: | Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D. | Deposit date: | 2012-07-24 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure of matrix metalloproteinase-3 with a platinum-based inhibitor. Chem.Commun.(Camb.), 49, 2013
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1RDC
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2WNL
| CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH ANABASEINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4,5,6-tetrahydro-2,3'-bipyridine, 5-amino-1-pyridin-3-ylpentan-1-one, ... | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | Deposit date: | 2009-07-09 | Release date: | 2009-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor. EMBO J., 28, 2009
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1RDA
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1CA5
| INTERCALATION SITE OF HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SSO7D/SAC7D BOUND TO DNA | Descriptor: | 5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3', CHROMOSOMAL PROTEIN SAC7D | Authors: | Su, S, Gao, Y.-G, Robinson, H, Shriver, J.W, Wang, A.H.-J. | Deposit date: | 1999-02-23 | Release date: | 2000-02-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the chromosomal proteins Sso7d/Sac7d bound to DNA containing T-G mismatched base-pairs J.Mol.Biol., 303, 2000
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3SRU
| S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | Descriptor: | Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hilgers, M. | Deposit date: | 2011-07-07 | Release date: | 2011-08-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
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