8I52
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![BU of 8i52 by Molmil](/molmil-images/mine/8i52) | |
6GNI
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![BU of 6gni by Molmil](/molmil-images/mine/6gni) | |
5AXR
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![BU of 5axr by Molmil](/molmil-images/mine/5axr) | |
5AYA
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![BU of 5aya by Molmil](/molmil-images/mine/5aya) | |
5B15
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![BU of 5b15 by Molmil](/molmil-images/mine/5b15) | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase, SODIUM ION, ... | Authors: | Wachino, J, Arakawa, Y. | Deposit date: | 2015-11-23 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem To Be Published
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5AXO
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![BU of 5axo by Molmil](/molmil-images/mine/5axo) | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Metallo-beta-lactamase, ... | Authors: | Wachino, J, Arakawa, Y. | Deposit date: | 2015-07-31 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem To Be Published
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5B1U
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![BU of 5b1u by Molmil](/molmil-images/mine/5b1u) | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Metallo-beta-lactamase, SODIUM ION, ... | Authors: | Wachino, J, Arakawa, Y. | Deposit date: | 2015-12-20 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem To be published
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3VPE
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![BU of 3vpe by Molmil](/molmil-images/mine/3vpe) | Crystal Structure of Metallo-beta-Lactamase SMB-1 | Descriptor: | ACETATE ION, GLYCEROL, Metallo-beta-lactamase, ... | Authors: | Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K. | Deposit date: | 2012-02-29 | Release date: | 2013-02-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate Antimicrob.Agents Chemother., 57, 2013
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3VQZ
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![BU of 3vqz by Molmil](/molmil-images/mine/3vqz) | Crystal structure of metallo-beta-lactamase, SMB-1, in a complex with mercaptoacetic acid | Descriptor: | Metallo-beta-lactamase, SODIUM ION, SULFANYLACETIC ACID, ... | Authors: | Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K. | Deposit date: | 2012-04-02 | Release date: | 2013-02-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate Antimicrob.Agents Chemother., 57, 2013
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5Y5B
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![BU of 5y5b by Molmil](/molmil-images/mine/5y5b) | Crystal Structure Of IMP-1 Metallo-beta-lactamase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFATE ION, ... | Authors: | Wachino, J. | Deposit date: | 2017-08-08 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses. Antimicrob.Agents Chemother., 63, 2019
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5ZR8
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![BU of 5zr8 by Molmil](/molmil-images/mine/5zr8) | |
5YD7
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![BU of 5yd7 by Molmil](/molmil-images/mine/5yd7) | Crystal Structure OF VIM-2 Metallo-beta-lactamase | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION | Authors: | Wachino, J. | Deposit date: | 2017-09-11 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure Of VIM-2 Metallo-beta-lactamase To Be Published
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6JED
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![BU of 6jed by Molmil](/molmil-images/mine/6jed) | Crystal structure of IMP-1 metallo-beta-lactamase in a complex with MCR | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFANYLACETIC ACID, ... | Authors: | Wachino, J. | Deposit date: | 2019-02-05 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses. Antimicrob.Agents Chemother., 63, 2019
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6K4T
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![BU of 6k4t by Molmil](/molmil-images/mine/6k4t) | Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-sulfanylbenzoic acid, Metallo-beta-lactamase, ... | Authors: | Wachino, J. | Deposit date: | 2019-05-27 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses. Antimicrob.Agents Chemother., 63, 2019
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6K4X
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![BU of 6k4x by Molmil](/molmil-images/mine/6k4x) | Crystal structure of SMB-1 metallo-beta-lactamase in a complex with ASB | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-azanyl-2-sulfanyl-benzoic acid, Metallo-beta-lactamase, ... | Authors: | Wachino, J. | Deposit date: | 2019-05-27 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses. Antimicrob.Agents Chemother., 63, 2019
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6ZG6
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![BU of 6zg6 by Molmil](/molmil-images/mine/6zg6) | COPII on membranes, outer coat vertex | Descriptor: | Protein transport protein SEC13, Protein transport protein SEC31 | Authors: | Zanetti, G, Hutchings, J. | Deposit date: | 2020-06-18 | Release date: | 2021-02-17 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (12 Å) | Cite: | Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network. Nat Commun, 12, 2021
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6ZGA
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![BU of 6zga by Molmil](/molmil-images/mine/6zga) | COPII on membranes, inner coat | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PRO-PRO-PRO, ... | Authors: | Zanetti, G, Hutchings, J, Cheung, A.C.M. | Deposit date: | 2020-06-18 | Release date: | 2021-02-17 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network. Nat Commun, 12, 2021
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6ZL0
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![BU of 6zl0 by Molmil](/molmil-images/mine/6zl0) | COPII on membranes, outer coat left-handed rod | Descriptor: | Protein transport protein SEC13, Protein transport protein SEC31 | Authors: | Zanetti, G, Hutchings, J. | Deposit date: | 2020-06-30 | Release date: | 2021-02-17 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (40 Å) | Cite: | Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network. Nat Commun, 12, 2021
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6ZG5
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![BU of 6zg5 by Molmil](/molmil-images/mine/6zg5) | |
5GS8
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![BU of 5gs8 by Molmil](/molmil-images/mine/5gs8) | Crystal structure of TLA-3 extended-spectrum beta-lactamase | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | Authors: | Wachino, J, Jin, W, Arakawa, Y. | Deposit date: | 2016-08-14 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
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5GWA
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![BU of 5gwa by Molmil](/molmil-images/mine/5gwa) | Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... | Authors: | Wachino, J, Jin, W, Arakawa, Y. | Deposit date: | 2016-09-09 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
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5X5G
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![BU of 5x5g by Molmil](/molmil-images/mine/5x5g) | Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with OP0595 | Descriptor: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, SODIUM ION, ... | Authors: | Wachino, J, Jin, W, Arakawa, Y. | Deposit date: | 2017-02-15 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
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6ILQ
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![BU of 6ilq by Molmil](/molmil-images/mine/6ilq) | Crystal structure of PPARgamma with compound BR101549 | Descriptor: | Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma, ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | Authors: | Hong, E, Jang, T.H, Chin, J, Kim, K.H, Jung, W, Kim, S.H. | Deposit date: | 2018-10-19 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.408 Å) | Cite: | Identification of BR101549 as a lead candidate of non-TZD PPAR gamma agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR. Bioorg.Med.Chem.Lett., 29, 2019
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6ICJ
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![BU of 6icj by Molmil](/molmil-images/mine/6icj) | Crystal structure of PPARgamma with compound BR102375K | Descriptor: | 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one, GLYCEROL, Nuclear receptor coactivator 1, ... | Authors: | Hong, E, Chin, J, Jang, T.H, Kim, K.H, Jung, W, Kim, S.H. | Deposit date: | 2018-09-06 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.483 Å) | Cite: | Crystal structure of PPARgamma with compound BR102375K To Be Published
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6A6K
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![BU of 6a6k by Molmil](/molmil-images/mine/6a6k) | Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000 | Descriptor: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma | Authors: | Yoon, H, Kim, J, Chin, J, Cho, S.J, Song, J. | Deposit date: | 2018-06-28 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Estrogen-Related Receptor-gamma Inverse Agonists To Restore the Sodium Iodide Symporter Function in Anaplastic Thyroid Cancer. J. Med. Chem., 62, 2019
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