5JD5
 
 | | Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy | | Descriptor: | CHLORIDE ION, MGS-MilE3 | | Authors: | Stogios, P.J, Xu, X, Cui, H, Martinez-Martinez, M, Chernikova, T.N, Golyshin, P.N, Yakimov, M.M, Ferrer, M, Savchenko, A. | | Deposit date: | 2016-04-15 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy
To Be Published
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6CSL
 | | Pneumococcal PhtD protein 269-339 fragment with bound Zn(II) | | Descriptor: | Histidine triad protein D, ZINC ION | | Authors: | Luo, Z, Pederick, V.G, Paton, J.C, McDevitt, C.A, Kobe, B. | | Deposit date: | 2018-03-20 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.921 Å) | | Cite: | Structural characterisation of the HT3 motif of the polyhistidine triad protein D from Streptococcus pneumoniae.
FEBS Lett., 592, 2018
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7VYQ
 | | Short chain dehydrogenase (SCR) cryoEM structure with NADP and ethyl 4-chloroacetoacetate | | Descriptor: | Carbonyl Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 4-chloranyl-3-oxidanylidene-butanoate | | Authors: | Li, Y.H, Zhang, R.Z, Wang, C, Forouhar, F, Clarke, O, Vorobiev, S, Singh, S, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2021-11-15 | | Release date: | 2022-04-06 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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5KTH
 | | Structure of cow mincle complexed with brartemicin | | Descriptor: | 2,4-dihydroxy-6-methyl Benzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I. | | Deposit date: | 2016-07-11 | | Release date: | 2016-08-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
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5V0S
 | | Crystal structure of the ACT domain of prephenate dehydrogenase tyrA from Bacillus anthracis | | Descriptor: | CALCIUM ION, Prephenate dehydrogenase, SULFATE ION | | Authors: | Shabalin, I.G, Hou, J, Cymborowski, M.T, Otwinowski, Z, Kwon, K, Christendat, D, Gritsunov, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-28 | | Release date: | 2017-03-08 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
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6BYY
 | | MEF2 CHIMERA/DNA Complex | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), ... | | Authors: | Lei, X, Chen, L. | | Deposit date: | 2017-12-21 | | Release date: | 2018-01-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Cancer Mutation D83V Induces an alpha-Helix to beta-Strand Conformation Switch in MEF2B.
J. Mol. Biol., 430, 2018
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5V72
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with citrate | | Descriptor: | CHLORIDE ION, CITRIC ACID, GLYCEROL, ... | | Authors: | Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Matelska, D, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2017-03-17 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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6Y4O
 | | Calmodulin bound to cardiac ryanodine receptor (RyR2) calmodulin binding domain | | Descriptor: | CALCIUM ION, Calmodulin-2, Ryanodine receptor 2 | | Authors: | Lau, K, Nielsen, L.H, Holt, C, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Van Petegem, F, Overgaard, M.T, Wimmer, R. | | Deposit date: | 2020-02-21 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.83549082 Å) | | Cite: | The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
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4WEQ
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADP and sulfate | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Osinski, T, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-09-10 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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7XQZ
 | | Drimenyl diphosphate synthase D303A from Streptomyces showdoensis in complex with 2-fluorofarnesyl diphosphate (2F-FPP) and Mg2+ | | Descriptor: | (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein | | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | | Deposit date: | 2022-05-09 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
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7XR7
 | | Drimenyl diphosphate synthase D303E from Streptomyces showdoensis in complex with farnesyl diphosphate (FPP) and Mg2+ | | Descriptor: | FARNESYL DIPHOSPHATE, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein | | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | | Deposit date: | 2022-05-09 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
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7XRU
 | | Drimenyl diphosphate synthase D303E from Streptomyces showdoensis in complex with 2-fluorofarnesyl diphosphate (2F-FPP) and Mg2+ | | Descriptor: | (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein | | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | | Deposit date: | 2022-05-11 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
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7XRA
 | | Drimenyl diphosphate synthase D303A from Streptomyces showdoensis in complex with farnesyl diphosphate (FPP) and Mg2+ | | Descriptor: | FARNESYL DIPHOSPHATE, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein | | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | | Deposit date: | 2022-05-09 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
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4WY3
 | | Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor | | Descriptor: | (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase | | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | | Deposit date: | 2014-11-15 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors.
Bioorg.Med.Chem., 23, 2015
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7VO7
 | | Crystal structure of trypsin in complex with Lima bean trypsin inhibitor at 2.25A resolution. | | Descriptor: | Bowman-Birk type proteinase inhibitor, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ahmad, M.S, Akbar, Z, Choudhary, M.I. | | Deposit date: | 2021-10-12 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Insight into the structural basis of the dual inhibitory mode of Lima bean (Phaseolus lunatus) serine protease inhibitor.
Proteins, 91, 2023
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7VZ0
 | | Structure of the M. tuberculosis HtrA S407A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-15 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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4Z3D
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5LAC
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5TH9
 | | Structure determination of a potent, selective antibody inhibitor of human MMP9 (GS-5745 bound to MMP-9) | | Descriptor: | CALCIUM ION, COBALT HEXAMMINE(III), GS-5745 Fab heavy chain, ... | | Authors: | Appleby, T.C, Greenstein, A.E, Kwon, H.J. | | Deposit date: | 2016-09-29 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.999 Å) | | Cite: | Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9.
J. Biol. Chem., 292, 2017
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5TH6
 | | Structure determination of a potent, selective antibody inhibitor of human MMP9 (apo MMP9) | | Descriptor: | CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ZINC ION | | Authors: | Appleby, T.C, Greenstein, A.E, Kwon, H.J. | | Deposit date: | 2016-09-29 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9.
J. Biol. Chem., 292, 2017
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7W4R
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7W4W
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7W4T
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7W4U
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7W4S
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