2CCI
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![BU of 2cci by Molmil](/molmil-images/mine/2cci) | Crystal structure of phospho-CDK2 Cyclin A in complex with a peptide containing both the substrate and recruitment sites of CDC6 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6 homolog, Cyclin-A2, ... | 著者 | Cheng, K.Y, Noble, M.E.M, Skamnaki, V, Brown, N.R, Lowe, E.D, Kontogiannis, L, Shen, K, Cole, P.A, Siligardi, G, Johnson, L.N. | 登録日 | 2006-01-16 | 公開日 | 2006-05-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The role of the phospho-CDK2/cyclin A recruitment site in substrate recognition. J. Biol. Chem., 281, 2006
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6ZWB
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![BU of 6zwb by Molmil](/molmil-images/mine/6zwb) | Z-SBTub3 photoswitch bound to tubulin-DARPin D1 complex | 分子名称: | 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wranik, M, Weinert, T, Olieric, N, Gao, L, Kraus, Y.C.M, Bingham, R, Ntouliou, E, Ahlfeld, J, Thorn-Seshold, O, Steinmetz, M.O, Standfuss, J. | 登録日 | 2020-07-28 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.747 Å) | 主引用文献 | A Robust, GFP-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control over the Microtubule Cytoskeleton. Cell Chem Biol, 28, 2021
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5JPJ
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![BU of 5jpj by Molmil](/molmil-images/mine/5jpj) | Crystal structure of 6aJL2-R24G | 分子名称: | 6aJL2 protein | 著者 | Pelaez-Aguilar, A.E, Diaz-Vilchis, A, Amero, C, Becerril, B, Rudino-Pinera, E. | 登録日 | 2016-05-03 | 公開日 | 2017-06-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of 6aJL2-R24G light chain variable domain: Does crystal packing explain amyloid fibril formation? Biochem Biophys Rep, 20, 2019
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5CUH
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![BU of 5cuh by Molmil](/molmil-images/mine/5cuh) | Crystal structure MMP-9 complexes with a constrained hydroxamate based inhibitor LT4 | 分子名称: | (4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Tepshi, L, Vera, L, Nuti, E, Rosalia, L, Rossello, A, Stura, E.A. | 登録日 | 2015-07-24 | 公開日 | 2016-02-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery of a new selective inhibitor of A Disintegrin And Metalloprotease 10 (ADAM-10) able to reduce the shedding of NKG2D ligands in Hodgkin's lymphoma cell models. Eur.J.Med.Chem., 111, 2016
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8CZ8
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![BU of 8cz8 by Molmil](/molmil-images/mine/8cz8) | Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics | 分子名称: | Mesothelin, cleaved form, SULFATE ION, ... | 著者 | Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E. | 登録日 | 2022-05-24 | 公開日 | 2023-06-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics Front. Drug Discov., 3, 2023
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5JQI
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7SUS
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![BU of 7sus by Molmil](/molmil-images/mine/7sus) | Crystal structure of Apelin receptor in complex with small molecule | 分子名称: | (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ... | 著者 | Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M. | 登録日 | 2021-11-18 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural insight into apelin receptor-G protein stoichiometry. Nat.Struct.Mol.Biol., 29, 2022
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8CZE
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![BU of 8cze by Molmil](/molmil-images/mine/8cze) | Structure of a Xenopus Nucleosome with Widom 601 DNA | 分子名称: | Histone H2A, Histone H2B, Histone H3, ... | 著者 | Gu, Y, Ur, S.N, Milano, C.R, Tromer, E.C, Vale-Silva, L.A, Hochwagen, A, Corbett, K.D. | 登録日 | 2022-05-24 | 公開日 | 2023-06-07 | 最終更新日 | 2024-04-10 | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | 主引用文献 | Chromatin binding by HORMAD proteins regulates meiotic recombination initiation. Embo J., 43, 2024
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7AAY
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![BU of 7aay by Molmil](/molmil-images/mine/7aay) | Crystal structure of MerTK kinase domain in complex with Merestinib | 分子名称: | CHLORIDE ION, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase Mer | 著者 | Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | 登録日 | 2020-09-05 | 公開日 | 2020-10-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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7AB2
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![BU of 7ab2 by Molmil](/molmil-images/mine/7ab2) | Crystal structure of MerTK kinase domain in complex with UNC2025 | 分子名称: | 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | 登録日 | 2020-09-05 | 公開日 | 2020-10-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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5K47
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![BU of 5k47 by Molmil](/molmil-images/mine/5k47) | CryoEM structure of the human Polycystin-2/PKD2 TRP channel | 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, Polycystin-2 | 著者 | Pike, A.C.W, Grieben, M, Shintre, C.A, Tessitore, A, Shrestha, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | 登録日 | 2016-05-20 | 公開日 | 2016-08-24 | 最終更新日 | 2020-10-21 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Structure of the polycystic kidney disease TRP channel Polycystin-2 (PC2). Nat. Struct. Mol. Biol., 24, 2017
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5CW1
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1CVX
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![BU of 1cvx by Molmil](/molmil-images/mine/1cvx) | CRYSTAL STRUCTURE OF POLYAMIDE DIMER (IMPYHPPYBETADP)2 BOUND TO B-DNA DECAMER CCAGATCTGG | 分子名称: | 5'-D(*CP*CP*AP*GP*AP*TP*CP*TP*GP*G)-3', HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE | 著者 | Kielkopf, C.L, Bremer, R.E, White, S, Baird, E.E, Dervan, P.B, Rees, D.C. | 登録日 | 1999-08-24 | 公開日 | 2000-01-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Structural effects of DNA sequence on T.A recognition by hydroxypyrrole/pyrrole pairs in the minor groove. J.Mol.Biol., 295, 2000
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7AB1
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![BU of 7ab1 by Molmil](/molmil-images/mine/7ab1) | Crystal structure of MerTK kinase domain in complex with Gilteritinib | 分子名称: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | 登録日 | 2020-09-05 | 公開日 | 2020-10-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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6VRU
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![BU of 6vru by Molmil](/molmil-images/mine/6vru) | PIM-inhibitor complex 1 | 分子名称: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ... | 著者 | Barberis, C.E, Batchelor, J.D, Mechin, I, Liu, J. | 登録日 | 2020-02-10 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model. Bioorg.Med.Chem.Lett., 30, 2020
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7TUJ
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![BU of 7tuj by Molmil](/molmil-images/mine/7tuj) | NMR solution structure of the phosphorylated MUS81-binding region from human SLX4 | 分子名称: | Structure-specific endonuclease subunit SLX4 | 著者 | Payliss, B.J, Reichheld, S.E, Lemak, A, Arrowsmith, C.H, Sharpe, S, Wyatt, H.D.M. | 登録日 | 2022-02-02 | 公開日 | 2022-10-19 | 最終更新日 | 2022-11-09 | 実験手法 | SOLUTION NMR | 主引用文献 | Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease. Cell Rep, 41, 2022
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6ZYV
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4MZ9
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![BU of 4mz9 by Molmil](/molmil-images/mine/4mz9) | Revised structure of E. coli SSB | 分子名称: | Single-stranded DNA-binding protein | 著者 | Oakley, A.J. | 登録日 | 2013-09-29 | 公開日 | 2013-12-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Intramolecular binding mode of the C-terminus of Escherichia coli single-stranded DNA binding protein determined by nuclear magnetic resonance spectroscopy. Nucleic Acids Res., 42, 2014
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3OJN
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![BU of 3ojn by Molmil](/molmil-images/mine/3ojn) | Structure of Mn-substituted Homoprotocatechuate 2,3-Dioxygenase at 1.65 Ang resolution | 分子名称: | CALCIUM ION, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | 著者 | Fielding, A.J, Kovaleva, E.G, Farquhar, E.R, Lipscomb, J.D, Que Jr, L. | 登録日 | 2010-08-23 | 公開日 | 2010-12-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | A hyperactive cobalt-substituted extradiol-cleaving catechol dioxygenase. J.Biol.Inorg.Chem., 16, 2011
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8D9Z
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![BU of 8d9z by Molmil](/molmil-images/mine/8d9z) | Crystal structure of Cobra alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | 分子名称: | ACETATE ION, Centi-3FTX-D09 Fab heavy chain, Centi-3FTX-D09 Fab light chain, ... | 著者 | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | 登録日 | 2022-06-12 | 公開日 | 2023-06-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Venom protection by antibody from a snakebite hyperimmune subject To Be Published
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7U9G
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![BU of 7u9g by Molmil](/molmil-images/mine/7u9g) | Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, RVA122 Fab Heavy Chain, ... | 著者 | Callaway, H.M, Zyla, D, Larrous, F, Dias de Melo, G, Hastie, K.M, Avalos, R.D, Agarwal, A, Bouhry, H, Corti, D, Saphire, E.O. | 登録日 | 2022-03-10 | 公開日 | 2022-07-20 | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | 主引用文献 | Structure of the rabies virus glycoprotein trimer bound to a prefusion-specific neutralizing antibody. Sci Adv, 8, 2022
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7A06
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![BU of 7a06 by Molmil](/molmil-images/mine/7a06) | Structure of human CKa1 in complex with compound o | 分子名称: | 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha | 著者 | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | 登録日 | 2020-08-06 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur.J.Med.Chem., 207, 2020
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5KAH
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![BU of 5kah by Molmil](/molmil-images/mine/5kah) | Crystal structure of a dioxygenase in the Crotonase superfamily in P21, V425T mutant | 分子名称: | (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | 著者 | Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D. | 登録日 | 2016-06-01 | 公開日 | 2017-06-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.779 Å) | 主引用文献 | Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase. Acta Crystallogr D Struct Biol, 73, 2017
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5KAC
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![BU of 5kac by Molmil](/molmil-images/mine/5kac) | Protein Tyrosine Phosphatase 1B P185G mutant, open state | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R. | 登録日 | 2016-06-01 | 公開日 | 2017-03-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery. Mol. Cell, 65, 2017
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6JKR
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![BU of 6jkr by Molmil](/molmil-images/mine/6jkr) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl phosphate (CP) | 分子名称: | Aspartate carbamoyltransferase, GLYCEROL, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER | 著者 | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | 登録日 | 2019-03-01 | 公開日 | 2020-03-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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