7BQP
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![BU of 7bqp by Molmil](/molmil-images/mine/7bqp) | The structure of HpiI | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y. | Deposit date: | 2020-03-25 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | An enzymatic Alder-ene reaction. Nature, 586, 2020
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2F5K
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![BU of 2f5k by Molmil](/molmil-images/mine/2f5k) | |
4I4Z
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![BU of 4i4z by Molmil](/molmil-images/mine/4i4z) | Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase (MenB) in complex with salicylyl-CoA | Descriptor: | BICARBONATE ION, MALONATE ION, Naphthoate synthase, ... | Authors: | Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H. | Deposit date: | 2012-11-28 | Release date: | 2013-05-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily Plos One, 8, 2013
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4I52
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![BU of 4i52 by Molmil](/molmil-images/mine/4i52) | scMenB im complex with 1-hydroxy-2-naphthoyl-CoA | Descriptor: | 1-hydroxy-2-naphthoyl-CoA, CHLORIDE ION, Naphthoate synthase | Authors: | Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H. | Deposit date: | 2012-11-28 | Release date: | 2013-05-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily Plos One, 8, 2013
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7RA8
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![BU of 7ra8 by Molmil](/molmil-images/mine/7ra8) | |
7RAL
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![BU of 7ral by Molmil](/molmil-images/mine/7ral) | |
6W0Z
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![BU of 6w0z by Molmil](/molmil-images/mine/6w0z) | |
6W0Y
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![BU of 6w0y by Molmil](/molmil-images/mine/6w0y) | |
6W0N
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![BU of 6w0n by Molmil](/molmil-images/mine/6w0n) | Structure of KHK in complex with compound 2 | Descriptor: | 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | Authors: | Jasti, J. | Deposit date: | 2020-03-02 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose. J.Med.Chem., 63, 2020
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6W0W
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![BU of 6w0w by Molmil](/molmil-images/mine/6w0w) | Structure of KHK in complex with compound 3 | Descriptor: | 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION | Authors: | Jasti, J. | Deposit date: | 2020-03-03 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose. J.Med.Chem., 63, 2020
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6W0X
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![BU of 6w0x by Molmil](/molmil-images/mine/6w0x) | |
3OPT
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![BU of 3opt by Molmil](/molmil-images/mine/3opt) | Crystal structure of the Rph1 catalytic core with a-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, DNA damage-responsive transcriptional repressor RPH1, NICKEL (II) ION | Authors: | Chang, Y, Wu, J, Tong, X, Zhou, J, Ding, J. | Deposit date: | 2010-09-02 | Release date: | 2010-12-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism Biochem.J., 433, 2011
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3OPW
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![BU of 3opw by Molmil](/molmil-images/mine/3opw) | Crystal Structure of the Rph1 catalytic core | Descriptor: | DNA damage-responsive transcriptional repressor RPH1 | Authors: | Chang, Y, Wu, J, Tong, X, Zhou, J, Ding, J. | Deposit date: | 2010-09-02 | Release date: | 2010-12-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism Biochem.J., 433, 2011
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6RK2
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![BU of 6rk2 by Molmil](/molmil-images/mine/6rk2) | Complex structure of virulence factor SghA mutant with its substrate SAG | Descriptor: | 2-(alpha-L-altropyranosyloxy)benzoic acid, Beta-glucosidase | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | Deposit date: | 2019-04-30 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals. Proc.Natl.Acad.Sci.USA, 116, 2019
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5X7Z
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![BU of 5x7z by Molmil](/molmil-images/mine/5x7z) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH P-AMINOSALICYLIC ACID | Descriptor: | 2-HYDROXY-4-AMINOBENZOIC ACID, Uncharacterized HTH-type transcriptional regulator Rv2887 | Authors: | Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J. | Deposit date: | 2017-02-28 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis Sci Rep, 7, 2017
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6RJM
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![BU of 6rjm by Molmil](/molmil-images/mine/6rjm) | Complex structure of virulence factor SghA and its hydrolysis product glucose | Descriptor: | Beta-glucosidase, alpha-D-glucopyranose | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | Deposit date: | 2019-04-27 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.112 Å) | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals. Proc.Natl.Acad.Sci.USA, 116, 2019
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6RJO
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![BU of 6rjo by Molmil](/molmil-images/mine/6rjo) | Complex structure of virulence factor SghA with its substrate analog salicin | Descriptor: | 2-(hydroxymethyl)phenyl beta-D-glucopyranoside, Beta-glucosidase | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | Deposit date: | 2019-04-28 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals. Proc.Natl.Acad.Sci.USA, 116, 2019
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6JBT
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![BU of 6jbt by Molmil](/molmil-images/mine/6jbt) | Complex structure of toripalimab-Fab and PD-1 | 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, Heavy chain, ... | Authors: | Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J. | Deposit date: | 2019-01-26 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy. Mabs, 11, 2019
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5CR5
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![BU of 5cr5 by Molmil](/molmil-images/mine/5cr5) | |
4JN9
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![BU of 4jn9 by Molmil](/molmil-images/mine/4jn9) | Crystal structure of the DepH | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DepH, ... | Authors: | Li, J, Wang, C, Zhang, Z.M, Zhou, J.H, Cheng, E. | Deposit date: | 2013-03-14 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural basis of an NADP+-independent dithiol oxidase in FK228 biosynthesis. Sci Rep, 4, 2014
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7UCC
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![BU of 7ucc by Molmil](/molmil-images/mine/7ucc) | Transcription factor FosB/JunD bZIP domain in the reduced form | Descriptor: | CHLORIDE ION, ETHANOL, Protein fosB, ... | Authors: | Kumar, A, Machius, M.C, Rudenko, G. | Deposit date: | 2022-03-16 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Chemically targeting the redox switch in AP1 transcription factor Delta FOSB. Nucleic Acids Res., 50, 2022
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4JNA
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![BU of 4jna by Molmil](/molmil-images/mine/4jna) | Crystal structure of the DepH complex with dimethyl-FK228 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DepH, ... | Authors: | Li, J, Wang, C, Zhang, Z.M, Zhou, J.H, Cheng, E. | Deposit date: | 2013-03-14 | Release date: | 2014-03-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural basis of an NADP+-independent dithiol oxidase in FK228 biosynthesis. Sci Rep, 4, 2014
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5T0L
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![BU of 5t0l by Molmil](/molmil-images/mine/5t0l) | Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF and 5-(4-(3,4-dichlorophenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-15) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine, ... | Authors: | Thomas, S.B, Chen, Z, Lu, H, Li, Y. | Deposit date: | 2016-08-16 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Discovery of Potent and Selective Leads against Toxoplasma gondii Dihydrofolate Reductase via Structure-Based Design. ACS Med Chem Lett, 7, 2016
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6TYB
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![BU of 6tyb by Molmil](/molmil-images/mine/6tyb) | |
8ERR
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![BU of 8err by Molmil](/molmil-images/mine/8err) | |