1ROS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ros by Molmil](/molmil-images/mine/1ros) | Crystal structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid | 分子名称: | 2-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHYL]-4-(4'-ETHOXY-1,1'-BIPHENYL-4-YL)-4-OXOBUTANOIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | 著者 | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | 登録日 | 2003-12-02 | 公開日 | 2004-12-07 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12. J.Mol.Biol., 341, 2004
|
|
2GT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gt1 by Molmil](/molmil-images/mine/2gt1) | E. coli heptosyltransferase WaaC. | 分子名称: | Lipopolysaccharide heptosyltransferase-1 | 著者 | Grizot, S, Salem, M, Vongsouthi, V, Durand, L, Moreau, F, Dohi, H, Vincent, S, Escaich, S, Ducruix, A. | 登録日 | 2006-04-27 | 公開日 | 2007-05-01 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of the Escherichia coli Heptosyltransferase WaaC: Binary Complexes with ADP AND ADP-2-deoxy-2-fluoro Heptose. J.Mol.Biol., 363, 2006
|
|
2H1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h1f by Molmil](/molmil-images/mine/2h1f) | E. coli heptosyltransferase WaaC with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide heptosyltransferase-1 | 著者 | Grizot, S, Salem, M, Vongsouthi, V, Durand, L, Moreau, F, Dohi, H, Vincent, S, Escaich, S, Ducruix, A. | 登録日 | 2006-05-16 | 公開日 | 2007-05-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the Escherichia coli heptosyltransferase WaaC: binary complexes with ADP and ADP-2-deoxy-2-fluoro heptose. J.Mol.Biol., 363, 2006
|
|
2H1H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h1h by Molmil](/molmil-images/mine/2h1h) | E. coli heptosyltransferase WaaC with ADP-2-deoxy-2-fluoro heptose | 分子名称: | ADENOSINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO HEPTOSE, Lipopolysaccharide heptosyltransferase 1 | 著者 | Grizot, S, Salem, M, Vongsouthi, V, Durand, L, Moreau, F, Dohi, H, Vincent, S, Escaich, S, Ducruix, A. | 登録日 | 2006-05-16 | 公開日 | 2007-05-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the Escherichia coli heptosyltransferase WaaC: binary complexes with ADP and ADP-2-deoxy-2-fluoro heptose. J.Mol.Biol., 363, 2006
|
|
1UTZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1utz by Molmil](/molmil-images/mine/1utz) | Crystal Structure of MMP-12 complexed to (2R)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid | 分子名称: | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | 著者 | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | 登録日 | 2003-12-12 | 公開日 | 2004-12-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structures of Novel Non-Peptidic, Non-Zinc Chelating Inhibitors Bound to Mmp-12 J.Mol.Biol., 341, 2004
|
|
1UTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1utt by Molmil](/molmil-images/mine/1utt) | Crystal Structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid | 分子名称: | 2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | 著者 | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | 登録日 | 2003-12-10 | 公開日 | 2004-12-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12. J. Mol. Biol., 341, 2004
|
|
7U23
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u23 by Molmil](/molmil-images/mine/7u23) | |
8V2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v2t by Molmil](/molmil-images/mine/8v2t) | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148591 | 分子名称: | 1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol, CHLORIDE ION, Phosphoheptose isomerase, ... | 著者 | Junop, M.S, Brown, C, Szabla, R. | 登録日 | 2023-11-23 | 公開日 | 2023-12-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.402 Å) | 主引用文献 | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria. J.Med.Chem., 67, 2024
|
|
8V4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v4j by Molmil](/molmil-images/mine/8v4j) | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233 | 分子名称: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol, CHLORIDE ION, Phosphoheptose isomerase, ... | 著者 | Junop, M.S, Brown, C, Szabla, R. | 登録日 | 2023-11-29 | 公開日 | 2023-12-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria. J.Med.Chem., 67, 2024
|
|
6G9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g9p by Molmil](/molmil-images/mine/6g9p) | |
6G9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g9f by Molmil](/molmil-images/mine/6g9f) | Structural basis for the inhibition of E. coli PBP2 | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase MrdA | 著者 | Ruff, M, Levy, N. | 登録日 | 2018-04-10 | 公開日 | 2019-05-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design. J.Med.Chem., 62, 2019
|
|
4LH5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lh5 by Molmil](/molmil-images/mine/4lh5) | Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration | 分子名称: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, MAGNESIUM ION | 著者 | Ruff, M, Levy, N, Eiler, S. | 登録日 | 2013-06-30 | 公開日 | 2013-12-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage. Retrovirology, 10, 2013
|
|
4LH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lh4 by Molmil](/molmil-images/mine/4lh4) | |
3DNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dng by Molmil](/molmil-images/mine/3dng) | Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | 分子名称: | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide, CALCIUM ION, Neutrophil collagenase, ... | 著者 | Pochetti, G, Montanari, R, Mazza, F. | 登録日 | 2008-07-02 | 公開日 | 2009-03-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
|
|
3DPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dpf by Molmil](/molmil-images/mine/3dpf) | Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | 分子名称: | ACETOHYDROXAMIC ACID, CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, ... | 著者 | Pochetti, G, Montanari, R, Mazza, F. | 登録日 | 2008-07-08 | 公開日 | 2009-03-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
|
|
3DPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dpe by Molmil](/molmil-images/mine/3dpe) | Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | 分子名称: | CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, Neutrophil collagenase, ... | 著者 | Pochetti, G, Montanari, R, Mazza, F. | 登録日 | 2008-07-08 | 公開日 | 2009-03-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
|
|
6G9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g9s by Molmil](/molmil-images/mine/6g9s) | Structural basis for the inhibition of E. coli PBP2 | 分子名称: | (3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid, Peptidoglycan D,D-transpeptidase MrdA | 著者 | Ruff, M, Levy, N. | 登録日 | 2018-04-11 | 公開日 | 2019-05-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design. J.Med.Chem., 62, 2019
|
|
8BV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bv2 by Molmil](/molmil-images/mine/8bv2) | |
8CBR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cbr by Molmil](/molmil-images/mine/8cbr) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BDM-2 | 分子名称: | (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | 登録日 | 2023-01-25 | 公開日 | 2023-06-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
|
|
8CBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cbu by Molmil](/molmil-images/mine/8cbu) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884 | 分子名称: | (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | 登録日 | 2023-01-25 | 公開日 | 2023-06-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
|
|
8CBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cbv by Molmil](/molmil-images/mine/8cbv) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916 | 分子名称: | (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | 登録日 | 2023-01-25 | 公開日 | 2023-06-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
|
|
8CBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cbt by Molmil](/molmil-images/mine/8cbt) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872 | 分子名称: | (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | 登録日 | 2023-01-25 | 公開日 | 2023-06-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
|
|
8CBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cbs by Molmil](/molmil-images/mine/8cbs) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871 | 分子名称: | (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | 登録日 | 2023-01-25 | 公開日 | 2023-06-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
|
|
4E8Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e8y by Molmil](/molmil-images/mine/4e8y) | Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | 分子名称: | 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose, CHLORIDE ION, D-beta-D-heptose 7-phosphate kinase, ... | 著者 | Lee, T.-W, Verhey, T.B, Junop, M.S. | 登録日 | 2012-03-20 | 公開日 | 2012-12-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties. J.Med.Chem., 56, 2013
|
|
4E8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e8w by Molmil](/molmil-images/mine/4e8w) | Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | 分子名称: | D-beta-D-heptose 7-phosphate kinase, POTASSIUM ION, {[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid | 著者 | Lee, T.-W, Verhey, T.B, Junop, M.S. | 登録日 | 2012-03-20 | 公開日 | 2012-12-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8654 Å) | 主引用文献 | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties. J.Med.Chem., 56, 2013
|
|