7C2N
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![BU of 7c2n by Molmil](/molmil-images/mine/7c2n) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SPIRO | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine], Drug exporters of the RND superfamily-like protein,Endolysin, ... | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | Deposit date: | 2020-05-08 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO. J.Mol.Biol., 432, 2020
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6AJH
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![BU of 6ajh by Molmil](/molmil-images/mine/6ajh) | 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
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6AJI
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![BU of 6aji by Molmil](/molmil-images/mine/6aji) | 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
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6AJF
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![BU of 6ajf by Molmil](/molmil-images/mine/6ajf) | 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
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6AJG
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![BU of 6ajg by Molmil](/molmil-images/mine/6ajg) | 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
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6AJJ
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![BU of 6ajj by Molmil](/molmil-images/mine/6ajj) | 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
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4XO7
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![BU of 4xo7 by Molmil](/molmil-images/mine/4xo7) | 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
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4XO6
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![BU of 4xo6 by Molmil](/molmil-images/mine/4xo6) | 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
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3VBC
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![BU of 3vbc by Molmil](/molmil-images/mine/3vbc) | |
6A5F
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![BU of 6a5f by Molmil](/molmil-images/mine/6a5f) | |
6A5G
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![BU of 6a5g by Molmil](/molmil-images/mine/6a5g) | |
6A5H
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![BU of 6a5h by Molmil](/molmil-images/mine/6a5h) | |
6A52
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![BU of 6a52 by Molmil](/molmil-images/mine/6a52) | 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
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6A4X
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![BU of 6a4x by Molmil](/molmil-images/mine/6a4x) | 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
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6A4Z
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![BU of 6a4z by Molmil](/molmil-images/mine/6a4z) | 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: | 2018-09-19 | 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
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4IMA
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![BU of 4ima by Molmil](/molmil-images/mine/4ima) | 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
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6S7V
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![BU of 6s7v by Molmil](/molmil-images/mine/6s7v) | 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
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5I95
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![BU of 5i95 by Molmil](/molmil-images/mine/5i95) | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | Authors: | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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7BP3
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![BU of 7bp3 by Molmil](/molmil-images/mine/7bp3) | 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
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4L1X
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![BU of 4l1x by Molmil](/molmil-images/mine/4l1x) | 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
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4L1W
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![BU of 4l1w by Molmil](/molmil-images/mine/4l1w) | 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
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4NUX
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![BU of 4nux by Molmil](/molmil-images/mine/4nux) | 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
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7YVV
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![BU of 7yvv by Molmil](/molmil-images/mine/7yvv) | 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
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6LZE
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![BU of 6lze by Molmil](/molmil-images/mine/6lze) | 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: | 2023-11-29 | 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
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7SUX
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![BU of 7sux by Molmil](/molmil-images/mine/7sux) | |