4UMX
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![BU of 4umx by Molmil](/molmil-images/mine/4umx) | IDH1 R132H in complex with cpd 1 | 分子名称: | 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... | 著者 | Mathieu, M, Marquette, J.P. | 登録日 | 2014-05-22 | 公開日 | 2014-11-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
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8BNV
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7MLJ
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8BNX
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8BAR
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8BAT
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![BU of 8bat by Molmil](/molmil-images/mine/8bat) | Geobacter lovleyi NADAR | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Geobacter lovleyi NADAR | 著者 | Schuller, M, Ariza, A. | 登録日 | 2022-10-11 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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8BAS
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8BAQ
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![BU of 8baq by Molmil](/molmil-images/mine/8baq) | E. coli C7 DarT1 in complex with NAD+ | 分子名称: | 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Schuller, M, Ariza, A. | 登録日 | 2022-10-11 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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8BAU
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![BU of 8bau by Molmil](/molmil-images/mine/8bau) | Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose | 分子名称: | 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 著者 | Schuller, M, Ariza, A. | 登録日 | 2022-10-11 | 公開日 | 2023-07-12 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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2XT4
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2XNI
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![BU of 2xni by Molmil](/molmil-images/mine/2xni) | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | 分子名称: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | 著者 | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | 登録日 | 2010-08-02 | 公開日 | 2011-08-17 | 最終更新日 | 2012-09-26 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates. Bioorg.Med.Chem.Lett., 20, 2010
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5WBS
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![BU of 5wbs by Molmil](/molmil-images/mine/5wbs) | Crystal structure of Frizzled-7 CRD with an inhibitor peptide Fz7-21 | 分子名称: | Frizzled-7,inhibitor peptide Fz7-21 | 著者 | Nile, A.H, Mukund, S, Hannoush, R.N, Wang, W. | 登録日 | 2017-06-29 | 公開日 | 2018-04-18 | 最終更新日 | 2018-05-30 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells. Nat. Chem. Biol., 14, 2018
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7MQS
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![BU of 7mqs by Molmil](/molmil-images/mine/7mqs) | The insulin receptor ectodomain in complex with three venom hybrid insulin molecules - asymmetric conformation | 分子名称: | Insulin A chain, Insulin B chain, Isoform Short of Insulin receptor | 著者 | Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C. | 登録日 | 2021-05-06 | 公開日 | 2022-03-16 | 最終更新日 | 2023-03-29 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Symmetric and asymmetric receptor conformation continuum induced by a new insulin. Nat.Chem.Biol., 18, 2022
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7MQO
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![BU of 7mqo by Molmil](/molmil-images/mine/7mqo) | The insulin receptor ectodomain in complex with a venom hybrid insulin analog - "head" region | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, ... | 著者 | Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C. | 登録日 | 2021-05-06 | 公開日 | 2022-03-16 | 最終更新日 | 2023-03-29 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Symmetric and asymmetric receptor conformation continuum induced by a new insulin. Nat.Chem.Biol., 18, 2022
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7MQR
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![BU of 7mqr by Molmil](/molmil-images/mine/7mqr) | The insulin receptor ectodomain in complex with four venom hybrid insulins - symmetric conformation | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | 著者 | Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C. | 登録日 | 2021-05-06 | 公開日 | 2022-03-16 | 最終更新日 | 2023-03-29 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Symmetric and asymmetric receptor conformation continuum induced by a new insulin. Nat.Chem.Biol., 18, 2022
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5VZQ
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![BU of 5vzq by Molmil](/molmil-images/mine/5vzq) | Sperm whale myoglobin V68A/I107Y with nitric oxide | 分子名称: | Myoglobin, NITRIC OXIDE, NITRITE ION, ... | 著者 | Wang, B, Thomas, L.M, Richter-Addo, G.B. | 登録日 | 2017-05-29 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
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5VZO
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![BU of 5vzo by Molmil](/molmil-images/mine/5vzo) | Sperm whale myoglobin H64A with nitric oxide | 分子名称: | GLYCEROL, Myoglobin, NITRIC OXIDE, ... | 著者 | Wang, B, Thomas, L.M, Richter-Addo, G.B. | 登録日 | 2017-05-29 | 公開日 | 2018-06-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
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5VZP
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![BU of 5vzp by Molmil](/molmil-images/mine/5vzp) | Sperm whale myoglobin H64Q with nitric oxide | 分子名称: | GLYCEROL, Myoglobin, NITRIC OXIDE, ... | 著者 | Wang, B, Thomas, L.M, Richter-Addo, G.B. | 登録日 | 2017-05-29 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
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5KSI
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![BU of 5ksi by Molmil](/molmil-images/mine/5ksi) | Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate | 分子名称: | (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ... | 著者 | Ahmed, M.H, Safo, M.K, Xia, Y. | 登録日 | 2016-07-08 | 公開日 | 2017-07-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease. Sci Rep, 7, 2017
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6KX3
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![BU of 6kx3 by Molmil](/molmil-images/mine/6kx3) | Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate | 著者 | Zhang, H, Luo, C. | 登録日 | 2019-09-09 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | 主引用文献 | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion. Adv Sci, 7, 2020
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6KX2
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![BU of 6kx2 by Molmil](/molmil-images/mine/6kx2) | Crystal structure of GDP bound RhoA protein | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA | 著者 | Zhang, H, Luo, C. | 登録日 | 2019-09-09 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.454 Å) | 主引用文献 | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion. Adv Sci, 7, 2020
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7D0C
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![BU of 7d0c by Molmil](/molmil-images/mine/7d0c) | S protein of SARS-CoV-2 in complex bound with P5A-3A1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3A1, ... | 著者 | Yan, R.H, Wang, R.K, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q. | 登録日 | 2020-09-09 | 公開日 | 2021-03-10 | 最終更新日 | 2021-05-19 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies. Cell Res., 31, 2021
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7D0B
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![BU of 7d0b by Molmil](/molmil-images/mine/7d0b) | S protein of SARS-CoV-2 in complex bound with P5A-3C12_1B | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3C12, ... | 著者 | Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q. | 登録日 | 2020-09-09 | 公開日 | 2021-03-10 | 最終更新日 | 2021-05-19 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies. Cell Res., 31, 2021
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7D0D
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![BU of 7d0d by Molmil](/molmil-images/mine/7d0d) | S protein of SARS-CoV-2 in complex bound with P5A-3C12_2B | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3C12, ... | 著者 | Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q. | 登録日 | 2020-09-09 | 公開日 | 2021-03-10 | 最終更新日 | 2021-05-19 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies. Cell Res., 31, 2021
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7RE9
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![BU of 7re9 by Molmil](/molmil-images/mine/7re9) | TCR mimic antibody (Fab fragment) | 分子名称: | DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain | 著者 | Dasgupta, M, Baker, B.M. | 登録日 | 2021-07-12 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma. Sci Rep, 12, 2022
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