4NBE
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![BU of 4nbe by Molmil](/molmil-images/mine/4nbe) | Fluorene-bound oxygenase with Phe275 replaced by Trp and ferredoxin complex of carbazole 1,9a-dioxygenase (form2) | Descriptor: | 9H-fluorene, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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4NB8
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![BU of 4nb8 by Molmil](/molmil-images/mine/4nb8) | Oxygenase with Ile262 replaced by Leu and ferredoxin complex of carbazole 1,9a-dioxygenase | Descriptor: | FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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4NBA
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![BU of 4nba by Molmil](/molmil-images/mine/4nba) | Carbazole-bound oxygenase with Ile262 replaced by Val and ferredoxin complex of carbazole 1,9a-dioxygenase | Descriptor: | 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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4NBC
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![BU of 4nbc by Molmil](/molmil-images/mine/4nbc) | Oxygenase with Phe275 replaced by Trp and ferredoxin complex of carbazole 1,9a-dioxygenase (form1) | Descriptor: | FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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4NBH
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![BU of 4nbh by Molmil](/molmil-images/mine/4nbh) | Carbazole-bound Oxygenase with Gln282 replaced by Tyr and ferredoxin complex of carbazole 1,9a-dioxygenase | Descriptor: | 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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4NBF
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![BU of 4nbf by Molmil](/molmil-images/mine/4nbf) | Oxygenase with Gln282 replaced by Asn and ferredoxin complex of carbazole 1,9a-dioxygenase | Descriptor: | FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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4NBD
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![BU of 4nbd by Molmil](/molmil-images/mine/4nbd) | Carbazole-bound oxygenase with Phe275 replaced by Trp and ferredoxin complex of carbazole 1,9a-dioxygenase (form2) | Descriptor: | 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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5ETY
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![BU of 5ety by Molmil](/molmil-images/mine/5ety) | Crystal Structure of human Tankyrase-1 bound to K-756 | Descriptor: | 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one, Tankyrase-1, ZINC ION | Authors: | Takahashi, Y, Miyagi, H, Suzuki, M, Saito, J. | Deposit date: | 2015-11-18 | Release date: | 2016-06-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Discovery and Characterization of K-756, a Novel Wnt/ beta-Catenin Pathway Inhibitor Targeting Tankyrase Mol.Cancer Ther., 15, 2016
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5KC2
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![BU of 5kc2 by Molmil](/molmil-images/mine/5kc2) | Negative stain structure of Vps15/Vps34 complex | Descriptor: | Phosphatidylinositol 3-kinase VPS34, Serine/threonine-protein kinase VPS15 | Authors: | Kirsten, M.L, Zhang, L, Ohashi, Y, Perisic, O, Williams, R.L, Sachse, C. | Deposit date: | 2016-06-04 | Release date: | 2016-10-05 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (28 Å) | Cite: | Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex. Autophagy, 12, 2016
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6R9W
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![BU of 6r9w by Molmil](/molmil-images/mine/6r9w) | Crystal structure of InhA in complex with AP-124 inhibitor | Descriptor: | (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Takebayashi, Y, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-04-04 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography. J.Chem.Inf.Model., 60, 2020
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6RUJ
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![BU of 6ruj by Molmil](/molmil-images/mine/6ruj) | |
5C5O
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![BU of 5c5o by Molmil](/molmil-images/mine/5c5o) | Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type inhibitor | Descriptor: | (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal, 3C-like proteinase | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2015-06-21 | Release date: | 2016-06-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Fused-ring structure of N-decalin as a novel scaffold for SARS 3CL protease inhibitors to be published
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7R8J
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![BU of 7r8j by Molmil](/molmil-images/mine/7r8j) | |
7R8F
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![BU of 7r8f by Molmil](/molmil-images/mine/7r8f) | |
7R8K
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![BU of 7r8k by Molmil](/molmil-images/mine/7r8k) | |
7R8G
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![BU of 7r8g by Molmil](/molmil-images/mine/7r8g) | |
7R8H
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![BU of 7r8h by Molmil](/molmil-images/mine/7r8h) | |
5B3D
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![BU of 5b3d by Molmil](/molmil-images/mine/5b3d) | Structure of a flagellar type III secretion chaperone, FlgN | Descriptor: | Flagella synthesis protein FlgN | Authors: | Nakanishi, Y, Kinoshita, M, Namba, K, Minamino, T, Imada, K. | Deposit date: | 2016-02-15 | Release date: | 2016-06-01 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rearrangements of alpha-helical structures of FlgN chaperone control the binding affinity for its cognate substrates during flagellar type III export Mol.Microbiol., 101, 2016
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6WOX
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![BU of 6wox by Molmil](/molmil-images/mine/6wox) | |
6WOY
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![BU of 6woy by Molmil](/molmil-images/mine/6woy) | |
7XUA
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![BU of 7xua by Molmil](/molmil-images/mine/7xua) | Structure of G9a in complex with compound 10a | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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7XUD
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![BU of 7xud by Molmil](/molmil-images/mine/7xud) | Structure of G9a in complex with compound 26a | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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7XUC
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![BU of 7xuc by Molmil](/molmil-images/mine/7xuc) | Structure of G9a in complex with compound 11a | Descriptor: | 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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7XUB
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![BU of 7xub by Molmil](/molmil-images/mine/7xub) | Structure of G9a in complex with compound 10d | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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3VWM
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![BU of 3vwm by Molmil](/molmil-images/mine/3vwm) | Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187A/H266N/D370Y mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | Deposit date: | 2012-08-30 | Release date: | 2013-10-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction To be Published
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