3WS7
 
 | | The 1.18 A resolution structure of L-serine 3-dehydrogenase complexed with NADP+ and sulfate ion from the hyperthermophilic archaeon Pyrobaculum calidifontis | | Descriptor: | 6-phosphogluconate dehydrogenase, NAD-binding protein, ACETIC ACID, ... | | Authors: | Yoneda, K, Sakuraba, H, Ohshima, T. | | Deposit date: | 2014-03-04 | | Release date: | 2015-03-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Crystal structure of the NADP+and tartrate-bound complex of L-serine 3-dehydrogenase from the hyperthermophilic archaeon Pyrobaculum calidifontis.
Extremophiles, 22, 2018
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4MJW
 | | Crystal Structure of Choline Oxidase in Complex with the Reaction Product Glycine Betaine | | Descriptor: | ACETATE ION, Choline oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Wang, Y.-F, Salvi, F, Gadda, G, Weber, I.T. | | Deposit date: | 2013-09-04 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of choline oxidase in complex with the reaction product glycine betaine.
Acta Crystallogr.,Sect.D, 70, 2014
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2NTJ
 | | Mycobacterium tuberculosis InhA bound with PTH-NAD adduct | | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH, {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Authors: | Wang, F, Sacchettini, J.C. | | Deposit date: | 2006-11-07 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism of thioamide drug action against tuberculosis and leprosy.
J.Exp.Med., 204, 2007
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1AQX
 | | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX | | Descriptor: | 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE | | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | | Deposit date: | 1997-08-03 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
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2WPF
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00085762) | | Descriptor: | 3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-06 | | Release date: | 2010-10-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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6CCE
 | | Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with inhibitor Kanglemycin A | | Descriptor: | 1,2-ETHANEDIOL, DNA (57-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Lilic, M, Darst, S.A, Campbell, E.A. | | Deposit date: | 2018-02-07 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism.
Nat Commun, 9, 2018
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5OQI
 | | Crystal Structure of a disulfide trapped single chain trimer composed of the MHC I heavy chain H-2Kb Y84C E63A mutant, beta-2microglobulin, and ovalbumin-derived peptide | | Descriptor: | Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-B alpha chain | | Authors: | Mikolajek, H, Werner, J.M, Beton, M.E. | | Deposit date: | 2017-08-11 | | Release date: | 2018-04-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The partial dissociation of MHC class I-bound peptides exposes their N terminus to trimming by endoplasmic reticulum aminopeptidase 1.
J. Biol. Chem., 293, 2018
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5OWE
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5TRE
 | | Zinc and the Iron Donor Frataxin Regulate Oligomerization of the Scaffold Protein to Form New Fe-S Cluster Assembly Centers | | Descriptor: | Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1 | | Authors: | Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Thompson, J.R, Isaya, G. | | Deposit date: | 2016-10-26 | | Release date: | 2017-06-07 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (15.6 Å) | | Cite: | Zinc and the iron donor frataxin regulate oligomerization of the scaffold protein to form new Fe-S cluster assembly centers.
Metallomics, 9, 2017
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1PL6
 | | Human SDH/NADH/inhibitor complex | | Descriptor: | 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sorbitol dehydrogenase, ... | | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | | Deposit date: | 2003-06-07 | | Release date: | 2004-02-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003
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3SKE
 | | I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles | | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION | | Authors: | Lesburg, C.A, Anilkumar, G.N. | | Deposit date: | 2011-06-22 | | Release date: | 2011-08-31 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
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1WZE
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4COD
 | | Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA | | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Encinas, L, OKeefe, H, Neu, M, Convery, M.A, McDowell, W, Mendoza-Losana, A, Pages, L.B, Castro-Pichel, J, Evindar, G. | | Deposit date: | 2014-01-28 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Encoded Library Technology as a Source of Hits for the Discovery and Lead Optimization of a Potent and Selective Class of Bactericidal Direct Inhibitors of Mycobacterium Tuberculosis Inha.
J.Med.Chem., 57, 2014
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1ZAB
 | | Crystal Structure of Mouse Cytidine Deaminase Complexed with 3-Deazauridine | | Descriptor: | 1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)PYRIDINE-2,4(1H,3H)-DIONE, Cytidine deaminase, SULFATE ION, ... | | Authors: | Teh, A.H. | | Deposit date: | 2005-04-06 | | Release date: | 2006-04-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | The 1.48 A Resolution Crystal Structure of the Homotetrameric Cytidine Deaminase from Mouse
Biochemistry, 45, 2006
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7EW6
 | | Barley photosystem I-LHCI-Lhca5 supercomplex | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | | Deposit date: | 2021-05-24 | | Release date: | 2021-12-22 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
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4PXS
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7ZKV
 | | F231A variant of the CODH/ACS complex of C. hydrogenoformans | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | | Authors: | Ruickoldt, J, Jeoung, J.-H, Basak, Y, Domnik, L, Dobbek, H. | | Deposit date: | 2022-04-13 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.066 Å) | | Cite: | Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 2024
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7ZCS
 | | Nitrite-bound MSOX movie series dataset 65 (52 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand (final) | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2022-03-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCP
 | | Nitrite-bound MSOX movie series dataset 17 (13.6 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitric oxide (NO) intermediate | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2022-03-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCO
 | | Nitrite-bound MSOX movie series dataset 8 (6.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite/NO intermediate | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2022-03-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCQ
 | | Nitrite-bound MSOX movie series dataset 25 (20 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - NO/water intermediate | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2022-03-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5Z5L
 | | Crystal structure of ConA-R5M | | Descriptor: | (1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside, CALCIUM ION, Concanavalin-A, ... | | Authors: | Hu, R.T, Gan, J.H, Chen, G.S. | | Deposit date: | 2018-01-18 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of ConA-R5M
To Be Published
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7ZCR
 | | Nitrite-bound MSOX movie series dataset 38 (30.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2022-03-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZKK
 | | A216H variant of the CODH/ACS complex of C. hydrogenoformans | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | | Authors: | Ruickoldt, J, Jeoung, J.-H, Basak, Y, Domnik, L, Dobbek, H. | | Deposit date: | 2022-04-13 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | On the Kinetics of CO2 Reduction by Ni, Fe-CO Dehydrogenases
Acs Catalysis, 2022
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7YWU
 | | Eugenol oxidase from rhodococcus jostii: mutant S81H, A423M, H434Y, S394V, I445D, S518P | | Descriptor: | 2-methoxy-4-(prop-2-en-1-yl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Alvigini, L, Mattevi, A. | | Deposit date: | 2022-02-14 | | Release date: | 2022-11-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure- and computational-aided engineering of an oxidase to produce isoeugenol from a lignin-derived compound.
Nat Commun, 13, 2022
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