5ZJD
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![BU of 5zjd by Molmil](/molmil-images/mine/5zjd) | Lactate dehydrogenase with NADH and MLA | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain, MALONATE ION | Authors: | Han, C.W, Jang, S.B. | Deposit date: | 2018-03-20 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid. Cancers (Basel), 11, 2019
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2X80
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![BU of 2x80 by Molmil](/molmil-images/mine/2x80) | P450 BM3 F87A in complex with DMSO | Descriptor: | BIFUNCTIONAL P-450/NADPH-P450 REDUCTASE, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Kuper, J, Wong, T.S, Roccatano, D, Wilmanns, M, Schwaneberg, U. | Deposit date: | 2010-03-05 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Role of Active-Site Phe87 in Modulating the Organic Co-Solvent Tolerance of Cytochrome P450 Bm3 Monooxygenase. Acta Crystallogr.,Sect.F, 68, 2012
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6GHY
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4NHQ
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![BU of 4nhq by Molmil](/molmil-images/mine/4nhq) | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (5 days) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-11-05 | Release date: | 2014-09-17 | Last modified: | 2015-06-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release. Inorg.Chem., 53, 2014
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5ZO0
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![BU of 5zo0 by Molmil](/molmil-images/mine/5zo0) | Neutron structure of xylanase at pD5.4 | Descriptor: | Endo-1,4-beta-xylanase 2 | Authors: | Wan, Q, Li, Z.H. | Deposit date: | 2018-04-12 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | NEUTRON DIFFRACTION (1.648 Å) | Cite: | Neutron structure of xylanase at pD5.4 To be published
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4NKW
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![BU of 4nkw by Molmil](/molmil-images/mine/4nkw) | |
2GR3
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4RRZ
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![BU of 4rrz by Molmil](/molmil-images/mine/4rrz) | Crystal Structure of Apo Murine H90W Cyclooxygenase-2 Complexed with Lumiracoxib | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.569 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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5YWL
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![BU of 5ywl by Molmil](/molmil-images/mine/5ywl) | SsCR_L211H | Descriptor: | Protein induced by osmotic stress | Authors: | Shang, Y.P, Chen, Q, Li, A.T, Yu, H.L, Xu, J.H. | Deposit date: | 2017-11-29 | Release date: | 2019-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Attenuated substrate inhibition of a haloketone reductase via structure-guided loop engineering. J.Biotechnol., 308, 2020
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4RXZ
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2JIC
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![BU of 2jic by Molmil](/molmil-images/mine/2jic) | High resolution structure of xylanase-II from one micron beam experiment | Descriptor: | XYLANASE-II | Authors: | Moukhametzianov, R, Burghammer, M, Edwards, P.C, Petitdemange, S, Popov, D, Fransen, M, Schertler, G.F, Riekel, C. | Deposit date: | 2007-02-27 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Protein Crystallography with a Micrometre-Sized Synchrotron-Radiation Beam. Acta Crystallogr.,Sect.D, 64, 2008
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6HG8
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![BU of 6hg8 by Molmil](/molmil-images/mine/6hg8) | Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | Authors: | Ambrus, A, Szabo, E, Weichsel, A, Bui, D, Wilk, P, Torocsik, B, Weiss, M.S, Montfort, W.R, Jordan, F, Adam-Vizi, V. | Deposit date: | 2018-08-22 | Release date: | 2019-09-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase. To Be Published
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6GLG
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![BU of 6glg by Molmil](/molmil-images/mine/6glg) | Crystal structure of hMTH1 F27A in complex with LW14 in the presence of acetate | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.313 Å) | Cite: | hMTH1 F27A in complex with LW14 To Be Published
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6GLQ
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![BU of 6glq by Molmil](/molmil-images/mine/6glq) | Crystal structure of hMTH1 N33G in complex with LW14 in the absence of acetate | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | hMTH1 N33G in complex with LW14. To Be Published
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6HHN
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6GLM
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![BU of 6glm by Molmil](/molmil-images/mine/6glm) | Crystal structure of hMTH1 N33A in complex with LW14 in the absence of acetate | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | hMTH1 N33A in complex with LW14 To Be Published
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2WHW
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![BU of 2whw by Molmil](/molmil-images/mine/2whw) | Selective oxidation of carbolide C-H bonds by engineered macrolide P450 monooxygenase | Descriptor: | CYCLOTRIDECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Li, S, Chaulagain, M.R, Knauff, A.R, Podust, L.M, Montgomery, J, Sherman, D.H. | Deposit date: | 2009-05-07 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selective Oxidation of Carbolide C-H Bonds by an Engineered Macrolide P450 Mono-Oxygenase. Proc.Natl.Acad.Sci.USA, 106, 2009
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6GLS
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![BU of 6gls by Molmil](/molmil-images/mine/6gls) | Crystal structure of hMTH1 N33G in complex with TH scaffold 1 in the absence of acetate | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | hMTH1 N33G in complex with TH scaffold 1. To Be Published
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2WKN
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![BU of 2wkn by Molmil](/molmil-images/mine/2wkn) | gamma lactamase from Delftia acidovorans | Descriptor: | FORMAMIDASE, ZINC ION | Authors: | Isupov, M.N, Line, K, Gonsalvez, I.S, Gange-Harris, P, Lanzotti, M, Saneei, V, Littlechild, J.A. | Deposit date: | 2009-06-16 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The Structure of Gamma Lactamase from Delftia Acidovorans To be Published
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7Y8L
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![BU of 7y8l by Molmil](/molmil-images/mine/7y8l) | Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole | Descriptor: | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
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6HYC
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2WIL
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![BU of 2wil by Molmil](/molmil-images/mine/2wil) | AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-05-12 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-Activity Analysis of Aging and Reactivation of Human Butyrylcholinesterase Inhibited by Analogues of Tabun Biochem.J., 421, 2009
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7Y9J
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![BU of 7y9j by Molmil](/molmil-images/mine/7y9j) | Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole | Descriptor: | 5-nitro-1,2-benzoxazole, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Engineering of a P450-based Kemp eliminase with a new mechanism Chinese J Catal, 47, 2023
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4NC5
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![BU of 4nc5 by Molmil](/molmil-images/mine/4nc5) | Human sialidase 2 in complex with 2,3-difluorosialic acid (covalent intermediate) | Descriptor: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, PHOSPHATE ION, Sialidase-2 | Authors: | Buchini, S, Gallat, F.-X, Greig, I.R, Kim, J.-H, Wakatsuki, S, Chavas, L.M.G, Withers, S.G. | Deposit date: | 2013-10-24 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.513 Å) | Cite: | Tuning mechanism-based inactivators of neuraminidases: mechanistic and structural insights. Angew.Chem.Int.Ed.Engl., 53, 2014
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7Y8M
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![BU of 7y8m by Molmil](/molmil-images/mine/7y8m) | Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole | Descriptor: | 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, reductase | Authors: | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
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