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PDB: 190 results

6M0K
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BU of 6m0k by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
Deposit date:2020-02-22
Release date:2020-04-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
7BP3
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BU of 7bp3 by Molmil
Cryo-EM structure of the human MCT2
Descriptor: Monocarboxylate transporter 2
Authors:Zhang, B, Jin, Q, Zhang, X, Guo, J, Ye, S.
Deposit date:2020-03-21
Release date:2020-06-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cooperative transport mechanism of human monocarboxylate transporter 2.
Nat Commun, 11, 2020
6AJI
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BU of 6aji by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ...
Authors:Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
Deposit date:2018-08-27
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJF
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BU of 6ajf by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Drug exporters of the RND superfamily-like protein,Endolysin, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside
Authors:Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
Deposit date:2018-08-27
Release date:2018-12-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJG
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BU of 6ajg by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ...
Authors:Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
Deposit date:2018-08-27
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJJ
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BU of 6ajj by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ...
Authors:Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
Deposit date:2018-08-27
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
4XO7
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BU of 4xo7 by Molmil
Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one
Descriptor: 4-ANDROSTENE-3-17-DIONE, Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, B, Hu, X.-J, Lin, S.-X.
Deposit date:2015-01-16
Release date:2016-02-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth.
Biochem.J., 473, 2016
9BPV
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BU of 9bpv by Molmil
Structure of the IFN-lambda3/IFN-lambdaR1/IL-10Rbeta receptor complex with an engineered IL-10Rbeta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon lambda receptor 1, Interferon lambda-3, ...
Authors:Zhang, B, Grubbe, W.S, Mendoza, J.L, Zhao, M.
Deposit date:2024-05-08
Release date:2025-01-29
Last modified:2025-02-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural studies of the IFN lambda 4 receptor complex using cryoEM enabled by protein engineering.
Nat Commun, 16, 2025
9BPU
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BU of 9bpu by Molmil
Structure of the IFN-lambda4/IFN-lambdaR1/IL-10Rbeta receptor complex with an engineered IL-10Rbeta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon lambda receptor 1, Interferon lambda-4, ...
Authors:Zhang, B, Grubbe, W.S, Mendoza, J.L, Zhao, M.
Deposit date:2024-05-08
Release date:2025-01-29
Last modified:2025-02-05
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural studies of the IFN lambda 4 receptor complex using cryoEM enabled by protein engineering.
Nat Commun, 16, 2025
6AJH
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BU of 6ajh by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ...
Authors:Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
Deposit date:2018-08-27
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.818 Å)
Cite:Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6A5H
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BU of 6a5h by Molmil
The structure of [4+2] and [6+4] cyclase in the biosynthetic pathway of unidentified natural product
Descriptor: 101015D
Authors:Zhang, B, Ge, H.M.
Deposit date:2018-06-23
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.618 Å)
Cite:Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products.
Nature, 568, 2019
4XO6
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BU of 4xo6 by Molmil
Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one
Descriptor: (3Beta,5alpha)-3-Hydroxyandrostan-17-one, 1,2-ETHANEDIOL, 5ALPHA-ANDROSTAN-3,17-DIONE, ...
Authors:Zhang, B, Hu, X.-J, Lin, S.-X.
Deposit date:2015-01-16
Release date:2016-02-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth.
Biochem.J., 473, 2016
6A5F
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BU of 6a5f by Molmil
The structure of [4+2] and [6+4] cyclase in the biosynthetic pathway of nargenicin
Descriptor: NgnD
Authors:Zhang, B, Ge, H.M.
Deposit date:2018-06-23
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products.
Nature, 568, 2019
6A5G
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BU of 6a5g by Molmil
The structure of [4+2] and [6+4] cyclase in the biosynthetic pathway of streptoseomycin
Descriptor: [4+2] and [4+6] cyclase StmD
Authors:Zhang, B, Ge, H.M.
Deposit date:2018-06-23
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products.
Nature, 568, 2019
4L1W
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BU of 4l1w by Molmil
Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone
Descriptor: Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ...
Authors:Zhang, B, Hu, X.-J, Lin, S.-X.
Deposit date:2013-06-03
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity
J.Steroid Biochem.Mol.Biol., 141, 2014
4L1X
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BU of 4l1x by Molmil
Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 V54L Mutant in Complex with NADP+ and Progesterone
Descriptor: Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ...
Authors:Zhang, B, Hu, X.-J, Lin, S.-X.
Deposit date:2013-06-03
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity
J.Steroid Biochem.Mol.Biol., 141, 2014
4IMA
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BU of 4ima by Molmil
The structure of C436M-hLPYK in complex with Citrate/Mn/ATP/Fru-1,6-BP
Descriptor: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ...
Authors:Zhang, B, Holyoak, T, Fenton, A.W, Tang, Q.L, Prasannan, C.B, Deng, J.P.
Deposit date:2013-01-02
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Biochemistry, 52, 2013
6A52
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BU of 6a52 by Molmil
Oxidase ChaP-H1
Descriptor: FE (II) ION, dioxidase ChaP-H1
Authors:Zhang, B, Ge, H.M.
Deposit date:2018-06-21
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
6A4X
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BU of 6a4x by Molmil
Oxidase ChaP-H2
Descriptor: Bleomycin resistance protein, FE (II) ION
Authors:Zhang, B, Wang, Y.S, Ge, H.M.
Deposit date:2018-06-21
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
6A4Z
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BU of 6a4z by Molmil
Oxidase ChaP
Descriptor: ChaP protein, FE (II) ION
Authors:Zhang, B, Ge, H.M.
Deposit date:2018-06-21
Release date:2018-08-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
4NUX
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BU of 4nux by Molmil
Structure of receptor A
Descriptor: Interleukin-17 receptor A
Authors:Zhang, B, Han, Y, Deng, J.
Deposit date:2013-12-04
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Structure of the unique SEFIR domain from human interleukin 17 receptor A reveals a composite ligand-binding site containing a conserved alpha-helix for Act1 binding and IL-17 signaling.
Acta Crystallogr.,Sect.D, 70, 2014
6S7V
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BU of 6s7v by Molmil
Lipoteichoic acids flippase LtaA
Descriptor: MFS transporter
Authors:Zhang, B, Perez, C.
Deposit date:2019-07-06
Release date:2020-04-22
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:Structure of a proton-dependent lipid transporter involved in lipoteichoic acids biosynthesis.
Nat.Struct.Mol.Biol., 27, 2020
6LZE
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BU of 6lze by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11a
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
Deposit date:2020-02-19
Release date:2020-04-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.505 Å)
Cite:Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
7YVV
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BU of 7yvv by Molmil
AcmP1, R-4-hydroxymandelate synthase
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, CHLORIDE ION, FE (III) ION, ...
Authors:Zhang, B, Ge, H.M.
Deposit date:2022-08-19
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of AcmP1 as the native R-4-hydroxymandelate synthase from biosynthetic pathway of Amycolamycins
To Be Published
6M03
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BU of 6m03 by Molmil
The crystal structure of COVID-19 main protease in apo form
Descriptor: 3C-like proteinase
Authors:Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z.
Deposit date:2020-02-19
Release date:2020-03-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022

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