7O91
 
 | | diMn-sulerythrin | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | | 著者 | Jeoung, J.-H, Dobbek, H. | | 登録日 | 2021-04-15 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
|
|
2BGI
 | | X-Ray Structure of the Ferredoxin-NADP(H) Reductase from Rhodobacter capsulatus complexed with three molecules of the detergent n-heptyl- beta-D-thioglucoside at 1.7 Angstroms | | 分子名称: | CARBON DIOXIDE, FERREDOXIN-NADP(H) REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Perez-Dorado, J.I, Hermoso, J.A, Nogues, I, Frago, S, Bittel, C, Mayhew, S.G, Gomez-Moreno, C, Medina, M, Cortez, N, Carrillo, N. | | 登録日 | 2004-12-23 | | 公開日 | 2005-09-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | The Ferredoxin-Nadp(H) Reductase from Rhodobacter Capsulatus: Molecular Structure and Catalytic Mechanism
Biochemistry, 44, 2005
|
|
5G0U
 | | InhA in complex with a DNA encoded library hit | | 分子名称: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5G3Y
 | | Crystal structure of adenylate kinase ancestor 1 with Zn and ADP bound | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ZINC ION | | 著者 | Nguyen, V, Kutter, S, English, J, Kern, D. | | 登録日 | 2016-05-03 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
|
|
5J84
 | |
7OEU
 | | Model of open pentamer of the Haliangium ochraceum encapsulin from symmetry expansion of icosahedral single particle reconstruction | | 分子名称: | Haliangium ochraceum encapsulated ferritin, Linocin_M18 bacteriocin protein | | 著者 | Marles-Wright, J, Basle, A, Clarke, D.J, Ross, J. | | 登録日 | 2021-05-04 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.64 Å) | | 主引用文献 | Pore dynamics and asymmetric cargo loading in an encapsulin nanocompartment.
Sci Adv, 8, 2022
|
|
5J8I
 | | Crystal structure of TL11-113 bound to TAK1-TAB1 | | 分子名称: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | 著者 | Gurbani, D, Westover, K.D. | | 登録日 | 2016-04-07 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.404 Å) | | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
|
|
5J9X
 | | HSP90 in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide | | 分子名称: | DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha, N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide | | 著者 | Amaral, M, Matias, P. | | 登録日 | 2016-04-11 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
|
|
5JDA
 | | Bacillus cereus CotH kinase plus Mg2+/AMP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A. | | 登録日 | 2016-04-15 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | | 主引用文献 | Phosphorylation of spore coat proteins by a family of atypical protein kinases.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5G41
 | | Crystal structure of adenylate kinase ancestor 4 with Zn, Mg and Ap5A bound | | 分子名称: | ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Nguyen, V, Kutter, S, English, J, Kern, D. | | 登録日 | 2016-05-03 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
|
|
7OE2
 | | Model of closed pentamer of the Haliangium ochraceum encapsulin from symmetry expansion of icosahedral single particle reconstruction | | 分子名称: | Haliangium ochraceum Encapsulated ferritin localisation sequence, Linocin_M18 bacteriocin protein | | 著者 | Marles-Wright, J, Basle, A, Clarke, D.J, Ross, J. | | 登録日 | 2021-05-01 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | Pore dynamics and asymmetric cargo loading in an encapsulin nanocompartment.
Sci Adv, 8, 2022
|
|
7NT4
 | | X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, Non-structural protein 3, PROFLAVIN, ... | | 著者 | Napolitano, V, Mourao, A, Bostock, M, Matsuda, A, Czarna, A, Popowicz, G.M. | | 登録日 | 2021-03-09 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses.
Cell Chem Biol, 29, 2022
|
|
5JIX
 | | PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP | | 分子名称: | 1,2-ETHANEDIOL, 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | | 著者 | Campbell, J.C, Kim, C.W. | | 登録日 | 2016-04-22 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
|
|
5G2B
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008 | | 分子名称: | CLASS 1 PHOSPHODIESTERASE PDEB1, FORMIC ACID, GLYCEROL, ... | | 著者 | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | | 登録日 | 2016-04-07 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
|
|
7ODW
 | |
2C29
 | | Structure of dihydroflavonol reductase from Vitis vinifera at 1.8 A. | | 分子名称: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, DIHYDROFLAVONOL 4-REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Petit, P, Granier, T, D'Estaintot, B.L, Hamdi, S, Gallois, B. | | 登録日 | 2005-09-27 | | 公開日 | 2006-10-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Crystal Structure of Grape Dihydroflavonol 4-Reductase, a Key Enzyme in Flavonoid Biosynthesis.
J.Mol.Biol., 368, 2007
|
|
5JOR
 | | Crystal structure of unbound anti-glycan antibody Fab14.22 at 2.2 A | | 分子名称: | Fab 14.22 light chain, Fab14.22 heavy chain, GLYCEROL, ... | | 著者 | Sarkar, A, Irimia, A, Teyton, L, Wilson, I.A. | | 登録日 | 2016-05-02 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.206 Å) | | 主引用文献 | T cells control the generation of nanomolar-affinity anti-glycan antibodies.
J. Clin. Invest., 127, 2017
|
|
5JOG
 | | CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5i-3 | | 分子名称: | 3-(difluoromethyl)-N-{6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1H-pyrazole-5-carboxamide, COP9 signalosome complex subunit 5, ZINC ION | | 著者 | Renatus, M, Wiesmann, C. | | 登録日 | 2016-05-02 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Targeted inhibition of the COP9 signalosome for treatment of cancer.
Nat Commun, 7, 2016
|
|
3AAQ
 | | Crystal structure of Lp1NTPDase from Legionella pneumophila in complex with the inhibitor ARL 67156 | | 分子名称: | 5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-N,N-diethyladenosine, Ectonucleoside triphosphate diphosphohydrolase I | | 著者 | Vivian, J.P, Beddoe, T, Rossjohn, J. | | 登録日 | 2009-11-24 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of a Legionella pneumophila Ecto -Triphosphate Diphosphohydrolase, A Structural and Functional Homolog of the Eukaryotic NTPDases
Structure, 18, 2010
|
|
5JTU
 | | Crystal structure of GPb in complex with 8b | | 分子名称: | (1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | 著者 | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | | 登録日 | 2016-05-09 | | 公開日 | 2016-08-24 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur.J.Med.Chem., 123, 2016
|
|
5K6V
 | | Sidekick-1 immunoglobulin domains 1-4, crystal form 2 | | 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, Protein sidekick-1, ... | | 著者 | Jin, X, Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L. | | 登録日 | 2016-05-25 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.208 Å) | | 主引用文献 | Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
|
|
7O70
 | | KRasG12C ligand complex | | 分子名称: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, CALCIUM ION, GTPase KRas, ... | | 著者 | Phillips, C. | | 登録日 | 2021-04-12 | | 公開日 | 2022-04-20 | | 最終更新日 | 2022-05-25 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
|
|
5K7E
 | |
7O83
 | | KRasG12C ligand complex | | 分子名称: | 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Phillips, C, Breed, J. | | 登録日 | 2021-04-14 | | 公開日 | 2022-04-20 | | 最終更新日 | 2022-05-25 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
|
|
7OAE
 | |
