3L71
 
 | | Cytochrome BC1 complex from chicken with azoxystrobin bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ... | | Authors: | Huang, L, Berry, E.A. | | Deposit date: | 2009-12-27 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors.
To be Published
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3L74
 | | Cytochrome BC1 complex from chicken with famoxadone bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ... | | Authors: | Huang, L, Berry, E.A. | | Deposit date: | 2009-12-28 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors.
To be Published
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5MFA
 | | Crystal structure of human promyeloperoxidase (proMPO) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Grishkovskaya, I, Furtmueller, P.G, Obinger, C, Djinovic-Carugo, K. | | Deposit date: | 2016-11-17 | | Release date: | 2017-04-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of human promyeloperoxidase (proMPO) and the role of the propeptide in processing and maturation.
J. Biol. Chem., 292, 2017
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1YII
 | | Crystal Structures of Chicken Annexin V in Complex with Ca2+ | | Descriptor: | Annexin A5, CALCIUM ION, SULFATE ION | | Authors: | Ortlund, E.A, Chai, G, Genge, B, Wu, L.N.Y, Wuthier, R.E, Lebioda, L. | | Deposit date: | 2005-01-11 | | Release date: | 2005-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystal Structures of Chicken Annexin A5 in Complex with Functional Modifiers Ca2+ and Zn2+ Reveal Zn2+ Induced Formation of Non-Planar Assemblies
Annexins, 1, 2005
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6B6V
 | | Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, as-isolated (protein batch 1), canonical C-cluster | | Descriptor: | Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Wittenborn, E.C, Drennan, C.L. | | Deposit date: | 2017-10-03 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
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1ABQ
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1BGS
 | | RECOGNITION BETWEEN A BACTERIAL RIBONUCLEASE, BARNASE, AND ITS NATURAL INHIBITOR, BARSTAR | | Descriptor: | BARNASE, BARSTAR | | Authors: | Guillet, V, Lapthorn, A, Mauguen, Y. | | Deposit date: | 1993-11-02 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Recognition between a bacterial ribonuclease, barnase, and its natural inhibitor, barstar.
Structure, 1, 1993
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3L72
 | | Chicken cytochrome BC1 complex with kresoxim-I-dimethyl bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, CYTOCHROME B, ... | | Authors: | Huang, L, Zhang, Z, Berry, E.A. | | Deposit date: | 2009-12-27 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors.
To be Published
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1CIR
 | | COMPLEX OF TWO FRAGMENTS OF CI2 [(1-40)(DOT)(41-64)] | | Descriptor: | CHYMOTRYPSIN INHIBITOR 2 | | Authors: | Davis, B.J, Fersht, A.R. | | Deposit date: | 1995-10-02 | | Release date: | 1996-01-29 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Towards the complete structural characterization of a protein folding pathway: the structures of the denatured, transition and native states for the association/folding of two complementary fragments of cleaved chymotrypsin inhibitor 2. Direct evidence for a nucleation-condensation mechanism
Structure Fold.Des., 1, 1996
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1TSI
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6AV5
 | | Structure of human neuronal nitric oxide synthase R354A/G356D mutant heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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1FB5
 | | LOW RESOLUTION STRUCTURE OF OVINE ORNITHINE TRANSCARBMOYLASE IN THE UNLIGANDED STATE | | Descriptor: | NORVALINE, ORNITHINE TRANSCARBAMOYLASE | | Authors: | Zanotti, G, Battistutta, R, Panzalorto, M, Francescato, P, Bruno, G, De Gregorio, A. | | Deposit date: | 2000-07-14 | | Release date: | 2003-08-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Functional and structural characterization of ovine ornithine transcarbamoylase.
Org.Biomol.Chem., 1, 2003
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9GNW
 | | Universal PSII assembly intermediate | | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Fadeeva, M, Klaiman, D, Nelson, N. | | Deposit date: | 2024-09-04 | | Release date: | 2025-09-17 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Universal PSII assembly intermediate
To Be Published
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6AUX
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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5TCW
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3L73
 | | Cytochrome BC1 complex from chicken with triazolone inhibitor | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, CARDIOLIPIN, ... | | Authors: | Huang, L, Berry, E.A. | | Deposit date: | 2009-12-27 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors.
To be Published
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6I1P
 | | Respiratory complex I from Thermus thermophilus with bound NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | | Deposit date: | 2018-10-29 | | Release date: | 2020-09-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.207 Å) | | Cite: | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
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5RAI
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with XS040404c | | Descriptor: | (1-methyl-5-phenyl-pyrazol-3-yl)methanol, CHLORIDE ION, Lysine-specific demethylase 3B, ... | | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | Deposit date: | 2020-03-16 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
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1EPO
 | | ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH CP-81,282 (MOR PHE NLE CHF NME) | | Descriptor: | ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide | | Authors: | Veerapandian, B, Cooper, J.B, Blundell, T.L. | | Deposit date: | 1994-07-27 | | Release date: | 1994-12-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Direct observation by X-ray analysis of the tetrahedral intermediate of aspartic proteinases.
Protein Sci., 1, 1992
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1AC8
 | | VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (3,4,5-TRIMETHYLTHIAZOLE) | | Descriptor: | 3,4,5-TRIMETHYL-1,3-THIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-14 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Variation in strength of an unconventional C-H to O hydrogen bond in an engineered protein cavity
J.Am.Chem.Soc., 119, 1997
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6DQD
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5ESE
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73R mutant complexed with fluconazole | | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2015-11-16 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
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1CIQ
 | | COMPLEX OF TWO FRAGMENTS OF CI2, RESIDUES 1-40 AND 41-64 | | Descriptor: | CHYMOTRYPSIN INHIBITOR 2 | | Authors: | Buckle, A.M, Fersht, A.R. | | Deposit date: | 1995-10-02 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Towards the complete structural characterization of a protein folding pathway: the structures of the denatured, transition and native states for the association/folding of two complementary fragments of cleaved chymotrypsin inhibitor 2. Direct evidence for a nucleation-condensation mechanism
Structure Fold.Des., 1, 1996
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1YJ0
 | | Crystal Structures of Chicken Annexin V in Complex with Zn2+ | | Descriptor: | Annexin A5, SULFATE ION, ZINC ION | | Authors: | Ortlund, E.A, Chai, G, Genge, B, Wu, L.N.Y, Wuthier, R.E, Lebioda, L. | | Deposit date: | 2005-01-11 | | Release date: | 2005-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal Structures of Chicken Annexin A5 in Complex with Functional Modifiers Ca2+ and Zn2+ Reveal Zn2+ Induced Formation of Non-Planar Assemblies
Annexins, 1, 2005
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2Z3Y
 | | Crystal structure of Lysine-specific demethylase1 | | Descriptor: | Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE | | Authors: | Mimasu, S, Sengoku, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-06-08 | | Release date: | 2008-01-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of histone demethylase LSD1 and tranylcypromine at 2.25A
Biochem.Biophys.Res.Commun., 366, 2008
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