6I30
| Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C | 分子名称: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Class C beta-lactamase PDC-301 | 著者 | Brem, J, Cahill, S.T, McDonough, M.A, Schofield, C.J. | 登録日 | 2018-11-02 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Studies on the inhibition of AmpC and other beta-lactamases by cyclic boronates. Biochim Biophys Acta Gen Subj, 1863, 2019
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3GB1
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6I9Q
| Structure of the mouse CD98 heavy chain ectodomain | 分子名称: | 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, CHLORIDE ION | 著者 | Schiefner, A, Deuschle, F.-C, Skerra, A. | 登録日 | 2018-11-24 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural differences between the ectodomains of murine and human CD98hc. Proteins, 87, 2019
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3GFW
| Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand | 分子名称: | 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | 著者 | Filippakopoulos, P, Soundararajan, M, Choi, H, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Grey, N, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2009-02-27 | 公開日 | 2009-03-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. Nat.Chem.Biol., 6, 2010
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6IJS
| Human PPARgamma ligand binding domain complexed with SB1494 | 分子名称: | 16-mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma | 著者 | Jang, J.Y, Han, B.W. | 登録日 | 2018-10-11 | 公開日 | 2019-10-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation. Sci Rep, 9, 2019
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2XU1
| CATHEPSIN L WITH A NITRILE INHIBITOR | 分子名称: | (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1 | 著者 | Banner, D.W, Benz, J.M, Steinbacher, S, Haap, W. | 登録日 | 2010-10-14 | 公開日 | 2011-01-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions. Angew.Chem.Int.Ed.Engl., 50, 2011
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6TV1
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2XQT
| Microscopic rotary mechanism of ion translocation in the Fo complex of ATP synthases | 分子名称: | ATP SYNTHASE C CHAIN, CYMAL-4, DICYCLOHEXYLUREA | 著者 | Pogoryelov, D, Krah, A, Langer, J, Yildiz, O, Faraldo-Gomez, J.D, Meier, T. | 登録日 | 2010-09-07 | 公開日 | 2010-10-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Microscopic Rotary Mechanism of Ion Translocation in the Fo Complex of ATP Synthases Nat.Chem.Biol., 6, 2010
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2XJF
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6U8Q
| CryoEM structure of HIV-1 cleaved synaptic complex (CSC) intasome | 分子名称: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | 著者 | Li, M, Chen, X, Craigie, R. | 登録日 | 2019-09-05 | 公開日 | 2020-02-05 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.67 Å) | 主引用文献 | A Peptide Derived from Lens Epithelium-Derived Growth Factor Stimulates HIV-1 DNA Integration and Facilitates Intasome Structural Studies. J.Mol.Biol., 432, 2020
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6U9K
| MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | 分子名称: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2019-09-09 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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3QKV
| Crystal structure of fatty acid amide hydrolase with small molecule compound | 分子名称: | (6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol, Fatty-acid amide hydrolase 1 | 著者 | Min, X, Walker, N.P.C, Wang, Z. | 登録日 | 2011-02-01 | 公開日 | 2011-04-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH). Proc.Natl.Acad.Sci.USA, 108, 2011
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6IU5
| Crystal structure of cytoplasmic metal binding domain with zinc ions | 分子名称: | CHLORIDE ION, VIT1, ZINC ION | 著者 | Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O. | 登録日 | 2018-11-27 | 公開日 | 2019-02-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal structure of plant vacuolar iron transporter VIT1. Nat Plants, 5, 2019
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2Y04
| TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST SALBUTAMOL | 分子名称: | BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, HEGA-10, ... | 著者 | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | 登録日 | 2010-11-30 | 公開日 | 2011-01-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor Nature, 469, 2011
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3QLM
| Crystal structure of porcine pancreatic phospholipase A2 in complex with n-hexadecanoic acid | 分子名称: | CALCIUM ION, PALMITIC ACID, Phospholipase A2, ... | 著者 | Aparna, V, Dileep, K.V, Karthe, P, Mandal, P.K, Sadasivan, C, Haridas, M. | 登録日 | 2011-02-03 | 公開日 | 2011-04-06 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Anti-inflammatory property of n-hexadecanoic acid: Structural evidence and Kinetic assessment. Chem.Biol.Drug Des., 2012
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2Y2N
| PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E07) | 分子名称: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | 著者 | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | 登録日 | 2010-12-15 | 公開日 | 2011-08-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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6I3S
| Crystal structure of MDM2 in complex with compound 13. | 分子名称: | (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | 著者 | Bader, G, Kessler, D. | 登録日 | 2018-11-07 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Targeted Synthesis of Complex Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-ones by Intramolecular Cyclization of Azomethine Ylides: Highly Potent MDM2-p53 Inhibitors. ChemMedChem, 14, 2019
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2XY9
| Human Angiotensin converting enzyme in complex with phosphinic tripeptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | 著者 | Akif, M, Schwager, S.L, Anthony, C.S, Czarny, B, Beau, F, Dive, V, Sturrock, E.D, Acharya, K.R. | 登録日 | 2010-11-16 | 公開日 | 2011-05-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Novel Mechanism of Inhibition of Human Angiotensin-I-Converting Enzyme (Ace) by a Highly Specific Phosphinic Tripeptide. Biochem.J., 436, 2011
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3QNJ
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3G4L
| Crystal structure of human phosphodiesterase 4d with roflumilast | 分子名称: | 1,2-ETHANEDIOL, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ... | 著者 | Staker, B.L. | 登録日 | 2009-02-03 | 公開日 | 2010-01-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety. Nat.Biotechnol., 28, 2010
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3G58
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3G60
| Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding | 分子名称: | (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1a | 著者 | Aller, S.G, Yu, J, Ward, A, Weng, Y, Chittaboina, S, Zhuo, R, Harrell, P.M, Trinh, Y.T, Zhang, Q, Urbatsch, I.L, Chang, G. | 登録日 | 2009-02-05 | 公開日 | 2009-03-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | 主引用文献 | Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding. Science, 323, 2009
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3Q6U
| Structure of the apo MET receptor kinase in the dually-phosphorylated, activated state | 分子名称: | Hepatocyte growth factor receptor | 著者 | Soisson, S.M, Rickert, K.W, Patel, S.B, Allison, T, Lumb, K.J. | 登録日 | 2011-01-03 | 公開日 | 2011-01-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural basis for selective small molecule kinase inhibition of activated c-Met. J.Biol.Chem., 286, 2011
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6KE5
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6KEK
| Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | 分子名称: | 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | 著者 | Lee, B.I, Park, T.H. | 登録日 | 2019-07-04 | 公開日 | 2020-07-08 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.553 Å) | 主引用文献 | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research. Molecules, 26, 2021
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