5AAB
| Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | 分子名称: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | 登録日 | 2015-07-23 | 公開日 | 2016-06-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F. N.Engl.J.Med., 374, 2016
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5AH2
| The sliding clamp of Mycobacterium smegmatis in complex with a natural product. | 分子名称: | DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION | 著者 | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | 登録日 | 2015-02-04 | 公開日 | 2015-06-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.129 Å) | 主引用文献 | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
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6GNH
| Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand | 分子名称: | Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate | 著者 | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | 登録日 | 2018-05-30 | 公開日 | 2018-09-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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6CON
| Crystal structure of Mycobacterium tuberculosis IpdAB | 分子名称: | CoA-transferase subunit alpha, CoA-transferase subunit beta | 著者 | Crowe, A.M, Workman, S.D, Watanabe, N, Worrall, L.J, Strynadka, N.C.J, Eltis, L.D. | 登録日 | 2018-03-12 | 公開日 | 2018-03-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | IpdAB, a virulence factor inMycobacterium tuberculosis, is a cholesterol ring-cleaving hydrolase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1ARL
| CARBOXYPEPTIDASE A WITH ZN REMOVED | 分子名称: | APO-CARBOXYPEPTIDASE A=ALPHA= (COX) | 著者 | Greenblatt, H.M, Feinberg, H, Tucker, P.A, Shoham, G. | 登録日 | 1994-11-22 | 公開日 | 1996-08-01 | 最終更新日 | 2019-08-14 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Carboxypeptidase A: native, zinc-removed and mercury-replaced forms. Acta Crystallogr.,Sect.D, 54, 1998
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5IB4
| Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR and Nickel | 分子名称: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | 著者 | Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B. | 登録日 | 2016-02-22 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype. J.Biol.Chem., 2019
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6GTU
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with fragment J6 | 分子名称: | 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine, ... | 著者 | Bertoletti, N, Heine, A, Marchais-Oberwinkler, S, Klebe, G. | 登録日 | 2018-06-19 | 公開日 | 2019-07-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | X-ray Crystallographic Fragment screening and Hit Optimization To Be Published
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5IEO
| Structure of CDL2.3a, a computationally designed Vitamin-D3 binder | 分子名称: | 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a | 著者 | Stoddard, B.L, Doyle, L.A. | 登録日 | 2016-02-25 | 公開日 | 2017-03-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | 主引用文献 | Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold. Protein Eng.Des.Sel., 31, 2018
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7Z3P
| Crystal structure of the mouse leptin:LepR-CRH2 encounter complex to 1.95 A resolution. | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Leptin, ... | 著者 | Tsirigotaki, A, Verschueren, K, Savvides, S.N, Verstraete, K. | 登録日 | 2022-03-02 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.943 Å) | 主引用文献 | Mechanism of receptor assembly via the pleiotropic adipokine Leptin. Nat.Struct.Mol.Biol., 30, 2023
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5IF0
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7Z4S
| Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | 著者 | Owen, C.D, Miura, T, Malla, T, Lukacik, L, Strain-Damerell, C.M, Tumber, A, Brewitz, L, McDonough, M.A, Salah, E, Terasaka, N, Katoh, T, Kawamura, A, Schofield, C.J, Suga, H, Walsh, M.A. | 登録日 | 2022-03-04 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | In vitro selection of macrocyclic peptide inhibitors containing cyclic gamma 2,4 -amino acids targeting the SARS-CoV-2 main protease. Nat.Chem., 15, 2023
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1BCJ
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1B30
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5IIW
| Corkscrew assembly of SOD1 residues 28-38 without potassium iodide | 分子名称: | Superoxide dismutase [Cu-Zn] | 著者 | Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D. | 登録日 | 2016-03-01 | 公開日 | 2017-06-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS). Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6GIK
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1BA4
| THE SOLUTION STRUCTURE OF AMYLOID BETA-PEPTIDE (1-40) IN A WATER-MICELLE ENVIRONMENT. IS THE MEMBRANE-SPANNING DOMAIN WHERE WE THINK IT IS? NMR, 10 STRUCTURES | 分子名称: | AMYLOID BETA-PEPTIDE | 著者 | Coles, M, Bicknell, W, Watson, A.A, Fairlie, D.P, Craik, D.J. | 登録日 | 1998-04-07 | 公開日 | 1998-06-17 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of amyloid beta-peptide(1-40) in a water-micelle environment. Is the membrane-spanning domain where we think it is? Biochemistry, 37, 1998
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5IHD
| Calcium(II) and copper(II) bound to the Z-DNA form of d(CGCGCG), complexed by L-lactate and succinate | 分子名称: | (2S)-2-HYDROXYPROPANOIC ACID, CALCIUM ION, COPPER (II) ION, ... | 著者 | Rohner, M, Medina-Molner, A, Spingler, B. | 登録日 | 2016-02-29 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2. Inorg.Chem., 55, 2016
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5II2
| Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one | 分子名称: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CITRIC ACID, POTASSIUM ION, ... | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S. | 登録日 | 2016-03-01 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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7ZCT
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7LOT
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1BI9
| RETINAL DEHYDROGENASE TYPE TWO WITH NAD BOUND | 分子名称: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, RETINAL DEHYDROGENASE TYPE II | 著者 | Newcomer, M.E, Lamb, A.L. | 登録日 | 1998-06-23 | 公開日 | 1999-07-22 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The structure of retinal dehydrogenase type II at 2.7 A resolution: implications for retinal specificity. Biochemistry, 38, 1999
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4ZYP
| Crystal Structure of Motavizumab and Quaternary-Specific RSV-Neutralizing Human Antibody AM14 in Complex with Prefusion RSV F Glycoprotein | 分子名称: | AM14 antibody Fab heavy chain, AM14 antibody light chain, Fusion glycoprotein F0,Fibritin, ... | 著者 | Gilman, M.S.A, McLellan, J.S. | 登録日 | 2015-05-21 | 公開日 | 2015-07-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (5.5 Å) | 主引用文献 | Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein. Plos Pathog., 11, 2015
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1AVC
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4ZZM
| Human ERK2 in complex with an irreversible inhibitor | 分子名称: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | 著者 | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | 登録日 | 2015-04-10 | 公開日 | 2015-05-27 | 最終更新日 | 2015-08-26 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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6GRG
| E. coli Microcin synthetase McbBCD complex with pro-MccB17, ADP and phosphate bound | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K. | 登録日 | 2018-06-11 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison. Mol. Cell, 73, 2019
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