6NVB
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![BU of 6nvb by Molmil](/molmil-images/mine/6nvb) | Crystal structure of the inhibitor-free form of the serine protease kallikrein-4 | 分子名称: | GLYCEROL, Kallikrein-4, SULFATE ION | 著者 | Riley, B.T, Buckle, A.M, McGowan, S. | 登録日 | 2019-02-04 | 公開日 | 2019-07-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.636 Å) | 主引用文献 | Crystal structure of the inhibitor-free form of the serine protease kallikrein-4. Acta Crystallogr.,Sect.F, 75, 2019
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4RRO
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![BU of 4rro by Molmil](/molmil-images/mine/4rro) | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | 分子名称: | (4S,4a'R,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | 著者 | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | 登録日 | 2014-11-06 | 公開日 | 2014-12-03 | 最終更新日 | 2014-12-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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4RRS
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![BU of 4rrs by Molmil](/molmil-images/mine/4rrs) | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | 分子名称: | (4R,4a'R,10a'S)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | 著者 | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | 登録日 | 2014-11-06 | 公開日 | 2014-12-03 | 最終更新日 | 2014-12-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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6NP6
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![BU of 6np6 by Molmil](/molmil-images/mine/6np6) | Crystal structure of the sensor domain of the transcriptional regulator HcpR from Porphyromonas Gingivalis | 分子名称: | Crp/Fnr family transcriptional regulator, GLYCEROL | 著者 | Musayev, F.N, Belvin, B.R, Escalante, C.R, Turner, J, Scarsdale, J.N, Lewis, J.P. | 登録日 | 2019-01-17 | 公開日 | 2019-06-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Nitrosative Stress Sensing in Porphyromonas gingivalis: Structure and Mechanisms of the Heme Binding Transcriptional Regulator HcpR. Acta Crystallogr D Struct Biol, 75, 2019
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4RSZ
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6NUP
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![BU of 6nup by Molmil](/molmil-images/mine/6nup) | |
6NV7
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![BU of 6nv7 by Molmil](/molmil-images/mine/6nv7) | BACE1 in complex with a macrocyclic inhibitor | 分子名称: | (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide, Beta-secretase 1 | 著者 | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | 登録日 | 2019-02-04 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.132 Å) | 主引用文献 | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors. Biochemistry, 58, 2019
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4RVI
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![BU of 4rvi by Molmil](/molmil-images/mine/4rvi) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL0519 | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, HIV-1 protease | 著者 | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | 登録日 | 2014-11-26 | 公開日 | 2016-05-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1 To be Published
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4S30
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6O21
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![BU of 6o21 by Molmil](/molmil-images/mine/6o21) | Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein 4 (Prostase, enamel matrix, ... | 著者 | Ilyichova, O.V, Buckle, A.M. | 登録日 | 2019-02-22 | 公開日 | 2019-03-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors. Biochemistry, 58, 2019
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4RYC
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4RZ1
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4TQ9
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![BU of 4tq9 by Molmil](/molmil-images/mine/4tq9) | Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | 著者 | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | 登録日 | 2014-06-10 | 公開日 | 2015-06-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.491 Å) | 主引用文献 | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations. Mol Cancer Res., 13, 2015
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4TN6
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![BU of 4tn6 by Molmil](/molmil-images/mine/4tn6) | CK1d in complex with inhibitor | 分子名称: | 4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine, Casein kinase I isoform delta, SULFATE ION | 著者 | Liu, S. | 登録日 | 2014-06-03 | 公開日 | 2015-08-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | CK1D IN COMPLEX WITH inhibitor To Be Published
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4TPO
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![BU of 4tpo by Molmil](/molmil-images/mine/4tpo) | High-resolution structure of TxtE with bound tryptophan substrate | 分子名称: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like protein, ... | 著者 | Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H. | 登録日 | 2014-06-08 | 公開日 | 2014-09-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.225 Å) | 主引用文献 | Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE. Chembiochem, 15, 2014
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4TU8
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![BU of 4tu8 by Molmil](/molmil-images/mine/4tu8) | STRUCTURE OF U2AF65 VARIANT WITH BRU5A6 DNA | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*DA*U)-3'), ... | 著者 | MCLAUGHLIN, K.J, JENKINS, J.L, Agrawal, A.A, KIELKOPF, C.L. | 登録日 | 2014-06-24 | 公開日 | 2014-11-26 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.918 Å) | 主引用文献 | Structure-guided U2AF65 variant improves recognition and splicing of a defective pre-mRNA. Proc.Natl.Acad.Sci.USA, 111, 2014
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4TT5
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4TTD
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4RLK
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![BU of 4rlk by Molmil](/molmil-images/mine/4rlk) | Crystal structure of Z. mays CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate | 分子名称: | 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Guerra, B, Rasmussen, T.D.L, Schnitzler, A, Jensen, H.H, Boldyreff, B.S, Miyata, Y, Marcussen, N, Niefind, K, Issinger, O.G. | 登録日 | 2014-10-17 | 公開日 | 2014-12-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Protein kinase CK2 inhibition is associated with the destabilization of HIF-1 alpha in human cancer cells. Cancer Lett, 356, 2015
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4RLV
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4RSD
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![BU of 4rsd by Molmil](/molmil-images/mine/4rsd) | STRUCTURE OF THE D121A VARIANT OF RIBONUCLEASE A | 分子名称: | ACETATE ION, CHLORIDE ION, RIBONUCLEASE A | 著者 | Schultz, L.W, Quirk, D.J, Raines, R.T. | 登録日 | 1998-02-05 | 公開日 | 1998-07-15 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | His...Asp catalytic dyad of ribonuclease A: structure and function of the wild-type, D121N, and D121A enzymes. Biochemistry, 37, 1998
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4RSK
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4RSN
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![BU of 4rsn by Molmil](/molmil-images/mine/4rsn) | Crystal structure of the E267V mutant of cytochrome P450 BM3 | 分子名称: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Zhou, W.H, Zhang, A.L, Zhang, T, Ren, X.K, Yorke, J.A, Taylor, A, Wong, L.-L. | 登録日 | 2014-11-09 | 公開日 | 2015-12-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | 主引用文献 | Expanding the drug metabolism function of P450BM3 To be Published
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4RLY
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4RTY
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