6DIT
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![BU of 6dit by Molmil](/molmil-images/mine/6dit) | Crystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01-19) | 分子名称: | NS3 protease, ZINC ION, pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, ... | 著者 | Matthew, A.N, Schiffer, C.A. | 登録日 | 2018-05-23 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.789 Å) | 主引用文献 | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
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6DWK
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![BU of 6dwk by Molmil](/molmil-images/mine/6dwk) | SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine, ... | 著者 | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | 登録日 | 2018-06-26 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DJ6
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![BU of 6dj6 by Molmil](/molmil-images/mine/6dj6) | The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with cis-oleic acid to 1.9 Angstrom resolution | 分子名称: | Fatty Acid Kinase (Fak) B2 protein (SPR1019), GLYCEROL, OLEIC ACID, ... | 著者 | Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O. | 登録日 | 2018-05-24 | 公開日 | 2019-05-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein (SPR1019) loaded with cis-oleic acid to 1.9 Angstrom resolution To Be Published
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6DJH
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![BU of 6djh by Molmil](/molmil-images/mine/6djh) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ515 | 分子名称: | 1,2-ETHANEDIOL, 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | 登録日 | 2018-05-25 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.918 Å) | 主引用文献 | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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7C96
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![BU of 7c96 by Molmil](/molmil-images/mine/7c96) | Avr1d:GmPUB13 U-box | 分子名称: | RING-type E3 ubiquitin transferase, RxLR effector protein Avh6 | 著者 | Xing, W, Hu, Q, Zhou, J, Yao, D. | 登録日 | 2020-06-05 | 公開日 | 2021-03-17 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Phytophthora sojae effector Avr1d functions as an E2 competitor and inhibits ubiquitination activity of GmPUB13 to facilitate infection. Proc.Natl.Acad.Sci.USA, 118, 2021
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6DJT
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![BU of 6djt by Molmil](/molmil-images/mine/6djt) | |
6D8G
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![BU of 6d8g by Molmil](/molmil-images/mine/6d8g) | |
7CR5
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![BU of 7cr5 by Molmil](/molmil-images/mine/7cr5) | |
6DK9
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![BU of 6dk9 by Molmil](/molmil-images/mine/6dk9) | Yeast Ddi2 Cyanamide Hydratase | 分子名称: | DNA damage-inducible protein, SULFATE ION, ZINC ION | 著者 | Moore, S.A, Xiao, W, Li, J. | 登録日 | 2018-05-29 | 公開日 | 2019-05-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae. J.Biol.Chem., 294, 2019
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6DMU
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![BU of 6dmu by Molmil](/molmil-images/mine/6dmu) | PI(4,5)P2 bound full-length rbTRPV5 | 分子名称: | Transient receptor potential cation channel subfamily V member 5, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | 著者 | Hughes, T.E.T, Pumroy, R.A, Moiseenkova-Bell, V.Y. | 登録日 | 2018-06-05 | 公開日 | 2018-10-24 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structural insights on TRPV5 gating by endogenous modulators. Nat Commun, 9, 2018
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6DT3
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![BU of 6dt3 by Molmil](/molmil-images/mine/6dt3) | 1.2 Angstrom Resolution Crystal Structure of Nucleoside Triphosphatase NudI from Klebsiella pneumoniae in Complex with HEPES | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nucleoside triphosphatase NudI | 著者 | Minasov, G, Shuvalova, L, Pshenychnyi, S, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-06-15 | 公開日 | 2018-06-27 | 最終更新日 | 2023-06-14 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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6DH4
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![BU of 6dh4 by Molmil](/molmil-images/mine/6dh4) | Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with UMass1 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2018-05-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.943 Å) | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DU9
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6DUH
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![BU of 6duh by Molmil](/molmil-images/mine/6duh) | Crystal structure of HIV-1 reverse transcriptase Y181I mutant in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-06-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6DJI
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![BU of 6dji by Molmil](/molmil-images/mine/6dji) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ522 | 分子名称: | 1,2-ETHANEDIOL, 3-hydroxybenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | 登録日 | 2018-05-25 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DV6
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![BU of 6dv6 by Molmil](/molmil-images/mine/6dv6) | Structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG (residues 176-end) in the open gate state | 分子名称: | Protein InvG | 著者 | Hu, J, Worrall, L.J, Vuckovic, M, Atkinson, C.E, Strynadka, N.C.J. | 登録日 | 2018-06-22 | 公開日 | 2018-10-03 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Cryo-EM analysis of the T3S injectisome reveals the structure of the needle and open secretin. Nat Commun, 9, 2018
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6DKA
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![BU of 6dka by Molmil](/molmil-images/mine/6dka) | Yeast Ddi2 Cyanamide Hydratase | 分子名称: | CYANAMIDE, DNA damage-inducible protein, SULFATE ION, ... | 著者 | Moore, S.A, Xiao, W, Li, J. | 登録日 | 2018-05-29 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.901 Å) | 主引用文献 | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae. J.Biol.Chem., 294, 2019
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6DUF
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![BU of 6duf by Molmil](/molmil-images/mine/6duf) | Crystal structure of HIV-1 reverse transcriptase V106A/F227L mutant in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-06-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.963 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6DLP
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![BU of 6dlp by Molmil](/molmil-images/mine/6dlp) | Crystal structure of LRRK2 WD40 domain dimer | 分子名称: | Leucine-rich repeat serine/threonine-protein kinase 2, PLATINUM (II) ION | 著者 | Zhang, P, Ru, H, Wang, L, Wu, H. | 登録日 | 2018-06-02 | 公開日 | 2019-01-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | Crystal structure of the WD40 domain dimer of LRRK2. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6DM1
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![BU of 6dm1 by Molmil](/molmil-images/mine/6dm1) | Open state GluA2 in complex with STZ and blocked by NASPM, after micelle signal subtraction | 分子名称: | CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ... | 著者 | Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I. | 登録日 | 2018-06-04 | 公開日 | 2018-08-22 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors. Neuron, 99, 2018
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7C43
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7C4C
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![BU of 7c4c by Molmil](/molmil-images/mine/7c4c) | |
6DDN
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6DQ4
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![BU of 6dq4 by Molmil](/molmil-images/mine/6dq4) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1 | 分子名称: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.392 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQI
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