6OI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oi4 by Molmil](/molmil-images/mine/6oi4) | RPN13 (19-132)-RPN2 (940-952) pY950-Ub complex | 分子名称: | 1,2-ETHANEDIOL, 26S proteasome non-ATPase regulatory subunit 1, Proteasomal ubiquitin receptor ADRM1, ... | 著者 | Hemmis, C.W, Hill, C.P. | 登録日 | 2019-04-08 | 公開日 | 2019-05-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Phosphorylation of Tyr-950 in the proteasome scaffolding protein RPN2 modulates its interaction with the ubiquitin receptor RPN13. J.Biol.Chem., 294, 2019
|
|
5OAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oak by Molmil](/molmil-images/mine/5oak) | |
6V29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v29 by Molmil](/molmil-images/mine/6v29) | |
6VCN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vcn by Molmil](/molmil-images/mine/6vcn) | Crystal structure of E.coli RppH in complex with ppcpG | 分子名称: | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, RNA pyrophosphohydrolase, SULFATE ION | 著者 | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | 登録日 | 2019-12-21 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
|
|
6OXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oxo by Molmil](/molmil-images/mine/6oxo) | HIV-1 Protease NL4-3 WT in Complex with LR2-91 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | 著者 | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2019-05-14 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | 主引用文献 | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
|
|
6OXP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oxp by Molmil](/molmil-images/mine/6oxp) | HIV-1 Protease NL4-3 WT in Complex with UMass3 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, Protease NL4-3, SULFATE ION | 著者 | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2019-05-14 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
|
|
6OXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oxs by Molmil](/molmil-images/mine/6oxs) | HIV-1 Protease NL4-3 WT in Complex with LR-76 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | 著者 | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2019-05-14 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | 主引用文献 | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
|
|
6V5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v5a by Molmil](/molmil-images/mine/6v5a) | |
6Q9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q9g by Molmil](/molmil-images/mine/6q9g) | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129D and NuoF bound to NADH | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | 登録日 | 2018-12-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
|
|
6PX5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6px5 by Molmil](/molmil-images/mine/6px5) | CRYSTAL STRUCTURE OF HUMAN MEIZOTHROMBIN DESF1 MUTANT S195A bound with PPACK | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Prothrombin, ... | 著者 | Pelc, L.A, Koester, S.K, Chen, Z, Gistover, N, Di Cera, E. | 登録日 | 2019-07-24 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin. Sci Rep, 9, 2019
|
|
6QEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qeg by Molmil](/molmil-images/mine/6qeg) | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 2-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid (2-thiophen-2-yl-ethyl)-amide | 分子名称: | (3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide, GLYCEROL, MANGANESE (II) ION, ... | 著者 | Musil, D, Heinrich, T, Lehmann, M. | 登録日 | 2019-01-07 | 公開日 | 2019-05-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors. J.Med.Chem., 62, 2019
|
|
6V43
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v43 by Molmil](/molmil-images/mine/6v43) | Crystal structure of the flavin oxygenase with cofactor and substrate bound involved in folate catabolism | 分子名称: | FAD/FMN-containing dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, pteridine-2,4(1H,3H)-dione | 著者 | Begley, T.P, Adak, S, Zhao, B, Li, P. | 登録日 | 2019-11-27 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | A novel flavoenzyme catalyzed Baeyer-Villiger type rearrangement in bacterial folic acid catabolic pathway To Be Published
|
|
2VOJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2voj by Molmil](/molmil-images/mine/2voj) | Ternary complex of M. tuberculosis Rv2780 with NAD and pyruvate | 分子名称: | (2S)-2-HYDROXYPROPANOIC ACID, ALANINE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Tripathi, S.M, Ramachandran, R. | 登録日 | 2008-02-18 | 公開日 | 2008-03-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structures of the Mycobacterium Tuberculosis Secretory Antigen Alanine Dehydrogenase (Rv2780) in Apo and Ternary Complex Forms Captures "Open" and "Closed" Enzyme Conformations. Proteins: Struct., Funct., Bioinf., 72, 2008
|
|
6Q39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q39 by Molmil](/molmil-images/mine/6q39) | Complex of Arginase 2 with Example 49 | 分子名称: | 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, mitochondrial, ... | 著者 | Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A. | 登録日 | 2018-12-03 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.213 Å) | 主引用文献 | Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II. J.Med.Chem., 62, 2019
|
|
6VCO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vco by Molmil](/molmil-images/mine/6vco) | Crystal structure of E.coli RppH in complex with ppcpA | 分子名称: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, RNA pyrophosphohydrolase | 著者 | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | 登録日 | 2019-12-21 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
|
|
6VCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vcr by Molmil](/molmil-images/mine/6vcr) | Crystal structure of E.coli RppH in complex with CTP | 分子名称: | CYTIDINE-5'-TRIPHOSPHATE, PYROPHOSPHATE, RNA pyrophosphohydrolase, ... | 著者 | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | 登録日 | 2019-12-21 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
|
|
6VGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vgj by Molmil](/molmil-images/mine/6vgj) | N-terminal variant of CXCL13 | 分子名称: | C-X-C motif chemokine 13 | 著者 | Rosenberg Jr, E.M, Lolis, E.J. | 登録日 | 2020-01-08 | 公開日 | 2020-10-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | The N-terminal length and side-chain composition of CXCL13 affect crystallization, structure and functional activity. Acta Crystallogr D Struct Biol, 76, 2020
|
|
6UVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvc by Molmil](/molmil-images/mine/6uvc) | Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid | 分子名称: | (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | 著者 | Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E. | 登録日 | 2019-11-02 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uve by Molmil](/molmil-images/mine/6uve) | Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid | 分子名称: | (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1 | 著者 | Roy, M.J, Lessene, G, Czabotar, P.E. | 登録日 | 2019-11-02 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvh by Molmil](/molmil-images/mine/6uvh) | Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid | 分子名称: | (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | 著者 | Roy, M.J, Lessene, G, Czabotar, P.E. | 登録日 | 2019-11-02 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvf by Molmil](/molmil-images/mine/6uvf) | Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid | 分子名称: | (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | 著者 | Roy, M.J, Lessene, G, Czabotar, P.E. | 登録日 | 2019-11-02 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvg by Molmil](/molmil-images/mine/6uvg) | Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid | 分子名称: | (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | 著者 | Roy, M.J, Lessene, G, Czabotar, P.E. | 登録日 | 2019-11-02 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6OOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oos by Molmil](/molmil-images/mine/6oos) | HIV-1 Protease NL4-3 L90M Mutant in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, NL4-3 PROTEASE, SULFATE ION | 著者 | Henes, M, Kosovrasti, K, Lockbaum, G.J, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A, Whitfield, T.W. | 登録日 | 2019-04-23 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance. Biochemistry, 58, 2019
|
|
6OPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ops by Molmil](/molmil-images/mine/6ops) | HIV-1 Protease NL4-3 WT in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
|
|
6OPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6opw by Molmil](/molmil-images/mine/6opw) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, V82F, I84V Mutant in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3, SULFATE ION | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
|
|