6A6P
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![BU of 6a6p by Molmil](/molmil-images/mine/6a6p) | Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd)LBD in Complex with DN003316 | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside, ... | Authors: | Chin, J.W, Cho, S.J, Song, J.Y, Ha, J.H. | Deposit date: | 2018-06-29 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd)LBD in Complex with DN003316 To Be Published
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6KZL
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![BU of 6kzl by Molmil](/molmil-images/mine/6kzl) | Crystal Structure Of NDM-1 Metallo-beta-lactamase In Complex With Inhibitor X2 | Descriptor: | 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid, Beta-lactamase, SULFATE ION, ... | Authors: | Wachino, J. | Deposit date: | 2019-09-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.763 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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6KXO
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![BU of 6kxo by Molmil](/molmil-images/mine/6kxo) | Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor NO9 | Descriptor: | 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | Authors: | Wachino, J. | Deposit date: | 2019-09-12 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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6KXI
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![BU of 6kxi by Molmil](/molmil-images/mine/6kxi) | |
6LBL
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![BU of 6lbl by Molmil](/molmil-images/mine/6lbl) | Crystal structure of IMP-1 metallo-beta-lactamase in complex with NO9 inhibitor | Descriptor: | 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Metallo-beta-lactamase type 2, SODIUM ION, ... | Authors: | Wachino, J. | Deposit date: | 2019-11-14 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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6SSZ
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![BU of 6ssz by Molmil](/molmil-images/mine/6ssz) | Structure of the Plasmodium falciparum falcipain 2 protease in complex with an (E)-chalcone inhibitor. | Descriptor: | (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one, Cysteine proteinase falcipain 2a | Authors: | Machin, J, Kantsadi, A, Vakonakis, I. | Deposit date: | 2019-09-09 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | The complex of Plasmodium falciparum falcipain-2 protease with an (E)-chalcone-based inhibitor highlights a novel, small, molecule-binding site. Malar.J., 18, 2019
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5AXR
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![BU of 5axr by Molmil](/molmil-images/mine/5axr) | |
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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3Q6E
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![BU of 3q6e by Molmil](/molmil-images/mine/3q6e) | Human insulin in complex with cucurbit[7]uril | Descriptor: | Insulin A chain, Insulin B chain, cucurbit[7]uril | Authors: | Chinai, J.M, Taylor, A.B, Hargreaves, N.D, Ryno, L.M, Morris, C.A, Hart, P.J, Urbach, A.R. | Deposit date: | 2010-12-31 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular recognition of insulin by a synthetic receptor. J.Am.Chem.Soc., 133, 2011
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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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8I52
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![BU of 8i52 by Molmil](/molmil-images/mine/8i52) | |
8BWC
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![BU of 8bwc by Molmil](/molmil-images/mine/8bwc) | E. coli BAM complex (BamABCDE) wild-type | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Machin, J.M, Radford, S.E, Ranson, N.A. | Deposit date: | 2022-12-06 | Release date: | 2023-05-24 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Darobactin B Stabilises a Lateral-Closed Conformation of the BAM Complex in E. coli Cells. Angew.Chem.Int.Ed.Engl., 62, 2023
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5AYA
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![BU of 5aya by Molmil](/molmil-images/mine/5aya) | |
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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6KZN
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![BU of 6kzn by Molmil](/molmil-images/mine/6kzn) | Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor X2 | Descriptor: | 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | Authors: | Wachino, J. | Deposit date: | 2019-09-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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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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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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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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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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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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6GNI
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![BU of 6gni by Molmil](/molmil-images/mine/6gni) | |