5ZED
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![BU of 5zed by Molmil](/molmil-images/mine/5zed) | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (E214V/T215S) | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein ADH | Authors: | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | Deposit date: | 2018-02-27 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones. J. Am. Chem. Soc., 140, 2018
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5Z2X
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![BU of 5z2x by Molmil](/molmil-images/mine/5z2x) | Structure of Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH) | Descriptor: | 1,2-ETHANEDIOL, Alcohol dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | Deposit date: | 2018-01-04 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones. J. Am. Chem. Soc., 140, 2018
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5ZEC
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![BU of 5zec by Molmil](/molmil-images/mine/5zec) | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Q136N/F161V/S196G/E214G/S237C) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ... | Authors: | Wang, Y, ZHou, J.Y, Hou, X.D, Xu, G.C, Rao, Y.J, Wu, L, Zhou, J.H, Ni, Y. | Deposit date: | 2018-02-27 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.779 Å) | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones. J. Am. Chem. Soc., 140, 2018
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8OHU
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![BU of 8ohu by Molmil](/molmil-images/mine/8ohu) | Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured isofagamine | Descriptor: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHX
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![BU of 8ohx by Molmil](/molmil-images/mine/8ohx) | Crystal structure of Beta-glucuronidase from Escherichia coli in complex with siastatin B derived inhibitor | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHR
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![BU of 8ohr by Molmil](/molmil-images/mine/8ohr) | Crystal structure of human heparanase in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor | Descriptor: | (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHT
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![BU of 8oht by Molmil](/molmil-images/mine/8oht) | Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with competitive inhibitor derrived from siastatin B | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHV
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![BU of 8ohv by Molmil](/molmil-images/mine/8ohv) | Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor | Descriptor: | (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHW
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![BU of 8ohw by Molmil](/molmil-images/mine/8ohw) | Crystal structure of heparanase from Burkholderia pseudomallei in complex with siastatin B derived inhibitor | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Glycoside hydrolase family 44 domain-containing protein | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OGX
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![BU of 8ogx by Molmil](/molmil-images/mine/8ogx) | Beta-glucuronidase from Acidobacterium capsulatum in complex with inhibitor R3794 | Descriptor: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, PHOSPHATE ION, beta-glucuronidase from Acidobacterium capsulatum | Authors: | Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z. | Deposit date: | 2023-03-20 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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7DL3
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![BU of 7dl3 by Molmil](/molmil-images/mine/7dl3) | The structure of 3,5-DAHDHcca complex with NADPH | Descriptor: | 3,5-diaminohexanoate dehydrogenase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-25 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84606934 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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7DL0
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![BU of 7dl0 by Molmil](/molmil-images/mine/7dl0) | The mutant E310G/A314Y of 3,5-DAHDHcca complex with NADPH | Descriptor: | 1,2-ETHANEDIOL, 3,5-diaminohexanoate dehydrogenase, CHLORIDE ION, ... | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-25 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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7DL7
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![BU of 7dl7 by Molmil](/molmil-images/mine/7dl7) | The wild-type structure of 3,5-DAHDHcca | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-diaminohexanoate dehydrogenase, ... | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-26 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.30065823 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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7DL1
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![BU of 7dl1 by Molmil](/molmil-images/mine/7dl1) | The mutant E310G/G323S structure of 3,5-DAHDHcca complex with NADPH | Descriptor: | 3,5-diaminohexanoate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-25 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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6JIT
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![BU of 6jit by Molmil](/molmil-images/mine/6jit) | Complex structure of an imine reductase at 2.05 Angstrom resolution | Descriptor: | 1-(2-phenylethyl)-3,4-dihydroisoquinoline, 6-phosphogluconate dehydrogenase NAD-binding protein, CHLORIDE ION, ... | Authors: | Li, H, Wu, L, Zheng, G.W, Zhou, J.H. | Deposit date: | 2019-02-23 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Complex structure of an imine reductase at 2.05 Angstrom resolution To Be Published
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6JIZ
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![BU of 6jiz by Molmil](/molmil-images/mine/6jiz) | Apo structure of an imine reductase at 1.76 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, 3-ethylheptane, 6-phosphogluconate dehydrogenase NAD-binding protein, ... | Authors: | Li, H, Wu, L, Zheng, G.W, Zhou, J.H. | Deposit date: | 2019-02-24 | Release date: | 2020-02-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.763 Å) | Cite: | Apo structure of an imine reductase at 1.76 Angstrom resolution To Be Published
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7VYU
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![BU of 7vyu by Molmil](/molmil-images/mine/7vyu) | |
7V2T
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![BU of 7v2t by Molmil](/molmil-images/mine/7v2t) | The complex structure of SoBcmB and its natural precursor 2 | Descriptor: | (3S,6S)-3-((R)-2,3-dihydroxy-2-methylpropyl)-6-((S)-4-hydroxybutan-2-yl)piperazine-2,5-dione, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | Authors: | Zhou, J.H, Wu, L. | Deposit date: | 2021-08-09 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.20005679 Å) | Cite: | The complex structure of SoBcmB and its its natural precursor 2 To Be Published
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2ZGJ
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![BU of 2zgj by Molmil](/molmil-images/mine/2zgj) | Crystal Structure of D86N-GzmM Complexed with Its Optimal Synthesized Substrate | Descriptor: | Granzyme M, SSGKVPLS, SULFATE ION | Authors: | Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S. | Deposit date: | 2008-01-22 | Release date: | 2009-01-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M J.Immunol., 183, 2009
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2ZGH
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![BU of 2zgh by Molmil](/molmil-images/mine/2zgh) | Crystal Structure of active granzyme M bound to its product | Descriptor: | Granzyme M, SSGKVPL, SULFATE ION | Authors: | Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S. | Deposit date: | 2008-01-22 | Release date: | 2009-01-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M J.Immunol., 183, 2009
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2ZKS
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![BU of 2zks by Molmil](/molmil-images/mine/2zks) | Structural insights into the proteolytic machinery of apoptosis-inducing Granzyme M | Descriptor: | Granzyme M, SULFATE ION, hGzmM inhibitor | Authors: | Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Yang, X, Zhai, Y.J, Sun, F, Fan, Z.S. | Deposit date: | 2008-03-28 | Release date: | 2009-03-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M J.Immunol., 183, 2009
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2ZGC
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![BU of 2zgc by Molmil](/molmil-images/mine/2zgc) | Crystal Structure of Active Human Granzyme M | Descriptor: | Granzyme M, SULFATE ION | Authors: | Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S. | Deposit date: | 2008-01-21 | Release date: | 2009-01-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M J.Immunol., 183, 2009
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6O8D
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![BU of 6o8d by Molmil](/molmil-images/mine/6o8d) | Anti-CD28xCD3 CODV Fab bound to CD28 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-CD28xCD3 CODV Fab Heavy chain, ... | Authors: | Lord, D.M, Wei, R.R. | Deposit date: | 2019-03-09 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.547 Å) | Cite: | Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation To Be Published
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6O89
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![BU of 6o89 by Molmil](/molmil-images/mine/6o89) | Anti-CD28xCD3 CODV Fab | Descriptor: | Anti-CD28xCD3 CODV-Fab Heavy chain, Anti-CD28xCD3 CODV-Fab Light chain | Authors: | Lord, D.M, Wei, R.R. | Deposit date: | 2019-03-09 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation Nat Cancer, 1, 2020
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7DHX
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![BU of 7dhx by Molmil](/molmil-images/mine/7dhx) | Crystal structure of SARS-CoV-2 RBD binding to pangolin ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ZINC ION, ... | Authors: | Wang, Q.H, Qi, J.X, Wu, L.L. | Deposit date: | 2020-11-17 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis of pangolin ACE2 engaged by COVID-19 virus Chin.Sci.Bull., 66, 2021
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