2MAI
 
 | | NMR structure of lassomycin | | Descriptor: | Lassomycin | | Authors: | Gavrish, E, Sit, C.S, Kandror, O, Spoering, A, Peoples, A, Ling, L, Fetterman, A, Hughes, D, Cao, S, Bissell, A, Torrey, H, Akopian, T, Mueller, A, Epstein, S, Goldberg, A, Clardy, J, Lewis, K. | | Deposit date: | 2013-07-09 | | Release date: | 2014-05-07 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Lassomycin, a Ribosomally Synthesized Cyclic Peptide, Kills Mycobacterium tuberculosis by Targeting the ATP-Dependent Protease ClpC1P1P2.
Chem.Biol., 21, 2014
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3IQD
 | | Structure of Octopine-dehydrogenase in complex with NADH and Agmatine | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, AGMATINE, Octopine dehydrogenase | | Authors: | Smits, S.H.J, Meyer, T, Mueller, A, Willbold, D, Grieshaber, M.K, Schmitt, L. | | Deposit date: | 2009-08-20 | | Release date: | 2010-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Insights into the mechanism of ligand binding to octopine dehydrogenase from Pecten maximus by NMR and crystallography
Plos One, 5, 2010
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3C7A
 | | A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH) | | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase | | Authors: | Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K. | | Deposit date: | 2008-02-07 | | Release date: | 2008-07-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
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3C7D
 | | A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH-Pyruvate) | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase, PYRUVIC ACID | | Authors: | Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K. | | Deposit date: | 2008-02-07 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
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3C7C
 | | A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH-L-Arginine) | | Descriptor: | ARGININE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase | | Authors: | Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K. | | Deposit date: | 2008-02-07 | | Release date: | 2008-07-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
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1AYF
 | | BOVINE ADRENODOXIN (OXIDIZED) | | Descriptor: | ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL | | Authors: | Mueller, A, Mueller, J.J, Heinemann, U. | | Deposit date: | 1997-11-03 | | Release date: | 1998-12-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | New aspects of electron transfer revealed by the crystal structure of a truncated bovine adrenodoxin, Adx(4-108).
Structure, 6, 1998
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8CA0
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1PTK
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2PKC
 | | CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION | | Descriptor: | PROTEINASE K, SODIUM ION | | Authors: | Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W. | | Deposit date: | 1993-06-04 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of calcium-free proteinase K at 1.5-A resolution.
J.Biol.Chem., 269, 1994
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1E6E
 | | ADRENODOXIN REDUCTASE/ADRENODOXIN COMPLEX OF MITOCHONDRIAL P450 SYSTEMS | | Descriptor: | ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mueller, J.J, Lapko, A, Bourenkov, G, Ruckpaul, K, Heinemann, U. | | Deposit date: | 2000-08-15 | | Release date: | 2001-08-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Adrenodoxin Reductase-Adrenodoxin Complex Structure Suggests Electron Transfer Path in Steroid Biosynthesis.
J.Biol.Chem., 276, 2001
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1LPK
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125. | | Descriptor: | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER, Blood coagulation factor Xa, CALCIUM ION | | Authors: | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | | Deposit date: | 2002-05-08 | | Release date: | 2003-05-08 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
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1LQD
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45. | | Descriptor: | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION | | Authors: | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | | Deposit date: | 2002-05-10 | | Release date: | 2003-05-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
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1LPG
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79. | | Descriptor: | Blood coagulation factor Xa, CALCIUM ION, [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | | Authors: | Schreuder, H.A, Brachvogel, V, Liesum, A. | | Deposit date: | 2002-05-08 | | Release date: | 2003-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa.
J.Med.Chem., 45, 2002
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1LPZ
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41. | | Descriptor: | 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide, Blood coagulation factor Xa, CALCIUM ION | | Authors: | Schreuder, H.A, Brachvogel, V, Liesum, A. | | Deposit date: | 2002-05-08 | | Release date: | 2003-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Biol.Chem., 45, 2002
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1LQE
 | | CRYSTAL STRUCTURE OF TRYPSIN IN COMPLEX WITH 79. | | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2002-05-10 | | Release date: | 2003-05-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and quantitative structure-activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides
as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa.
J.Med.Chem., 45, 2002
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5TQH
 | | IDH1 R132H mutant in complex with IDH889 | | Descriptor: | (4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Xie, X, Kulathila, R. | | Deposit date: | 2016-10-24 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1.
ACS Med Chem Lett, 8, 2017
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8EPM
 | | Human R-type voltage-gated calcium channel Cav2.3 CH2II-deleted mutant at 3.1 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-10-06 | | Release date: | 2022-12-14 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of the R-type human Ca v 2.3 channel reveal conformational crosstalk of the intracellular segments.
Nat Commun, 13, 2022
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8EPL
 | | Human R-type voltage-gated calcium channel Cav2.3 at 3.1 Angstrom resolution | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-10-06 | | Release date: | 2022-12-14 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of the R-type human Ca v 2.3 channel reveal conformational crosstalk of the intracellular segments.
Nat Commun, 13, 2022
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6RPX
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6RPZ
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6RPY
 | | Cytokine receptor-like factor 3 C-terminus residues 174-442: Hg-SAD derivative | | Descriptor: | Cytokine receptor-like factor 3, MERCURY (II) ION | | Authors: | Mifsud, R.W, Yan, Y, Bennett, C, Read, R.J. | | Deposit date: | 2019-05-15 | | Release date: | 2020-03-25 | | Last modified: | 2022-10-05 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | CRLF3 plays a key role in the final stage of platelet genesis and is a potential therapeutic target for thrombocythemia.
Blood, 139, 2022
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3PRK
 | | INHIBITION OF PROTEINASE K BY METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE. AN X-RAY STUDY AT 2.2-ANGSTROMS RESOLUTION | | Descriptor: | CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE, PROTEINASE K | | Authors: | Wolf, W.M, Bajorath, J, Mueller, A, Raghunathan, S, Singh, T.P, Hinrichs, W, Saenger, W. | | Deposit date: | 1991-08-07 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibition of proteinase K by methoxysuccinyl-Ala-Ala-Pro-Ala-chloromethyl ketone. An x-ray study at 2.2-A resolution.
J.Biol.Chem., 266, 1991
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7JPM
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4ZAR
 | | Crystal Structure of Proteinase K from Engyodontium albuminhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution | | Descriptor: | CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE, bound form, ... | | Authors: | Sawaya, M.R, Cascio, D, Collazo, M, Bond, C, Cohen, A, DeNicola, A, Eden, K, Jain, K, Leung, C, Lubock, N, McCormick, J, Rosinski, J, Spiegelman, L, Athar, Y, Tibrewal, N, Winter, J, Solomon, S. | | Deposit date: | 2015-04-14 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal Structure of Proteinase K from Engyodontium album inhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
to be published
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2VPR
 | | Tet repressor class H in complex with 5a,6- anhydrotetracycline-Mg | | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Schuldt, L, Palm, G, Hinrichs, W. | | Deposit date: | 2008-03-03 | | Release date: | 2008-03-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Tet Repressor Induction by Tetracycline: A Molecular Dynamics, Continuum Electrostatics, and Crystallographic Study
J.Mol.Biol., 378, 2008
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