6T1J
 
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 2 | | 分子名称: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide | | 著者 | Chaikuad, A, Heidenreich, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-04 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
|
|
2WLY
 | | Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline. | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | | 著者 | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | | 登録日 | 2009-06-29 | | 公開日 | 2010-03-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Chitinase inhibition by chitobiose and chitotriose thiazolines.
Angew. Chem. Int. Ed. Engl., 49, 2010
|
|
4ZNV
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methoxy-substituted OBHS derivative | | 分子名称: | 2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-05-05 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.771 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
|
|
6IRE
 | | Complex structure of INAD PDZ45 and NORPA CC-PBM | | 分子名称: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, Inactivation-no-after-potential D protein | | 著者 | Ye, F, Li, J, Deng, X, Liu, W, Zhang, M. | | 登録日 | 2018-11-12 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
|
|
3E32
 | |
4LK6
 | | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with Chlorophenol Red-b-D-galactopyranoside at 2.86 A Resolution | | 分子名称: | 2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid, CALCIUM ION, PA-I galactophilic lectin, ... | | 著者 | Kadam, R.U, Stocker, A, Reymond, J.L. | | 登録日 | 2013-07-06 | | 公開日 | 2013-10-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.859 Å) | | 主引用文献 | CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
Acs Chem.Biol., 8, 2013
|
|
8RCW
 | | Crystal structure of the Mycobacterium tuberculosis regulator VirS (N-terminal fragment 4-208) in complex with the lead compound SMARt751 | | 分子名称: | 4,4,4-tris(fluoranyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one, HTH-type transcriptional regulator VirS | | 著者 | Grosse, C, Sigoillot, M, Megalizzi, V, Tanina, A, Willand, N, Baulard, A.R, Wintjens, R. | | 登録日 | 2023-12-07 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.692 Å) | | 主引用文献 | Crystal structure of the Mycobacterium tuberculosis VirS regulator reveals its interaction with the lead compound SMARt751.
J.Struct.Biol., 216, 2024
|
|
4ZQD
 | | Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with the Benzoxadiazole Antagonist 0X3 | | 分子名称: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine | | 著者 | Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F. | | 登録日 | 2015-05-09 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
|
|
5D8O
 | | 1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa | | 分子名称: | Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | | 登録日 | 2015-08-17 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
|
|
8I83
 | |
6Z5S
 | | RC-LH1(14)-W complex from Rhodopseudomonas palustris | | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, (6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol, ... | | 著者 | Swainsbury, D.J.K, Qian, P, Hitchcock, A, Hunter, C.N. | | 登録日 | 2020-05-27 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Structures of Rhodopseudomonas palustris RC-LH1 complexes with open or closed quinone channels.
Sci Adv, 7, 2021
|
|
7WCU
 | |
4LNL
 | |
7WCK
 | |
6SS8
 | | Human Leukocyte Antigen Class I A02 Carrying LLWNGPIAV | | 分子名称: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Beta-2-microglobulin, ... | | 著者 | Rizkallah, P.J, Bovay, A. | | 登録日 | 2019-09-06 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020
|
|
3EBT
 | |
3EBZ
 | | High Resolution HIV-2 Protease Structure in Complex with Clinical Drug Darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ... | | 著者 | Kovalevsky, A.Y, Weber, I.T. | | 登録日 | 2008-08-28 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease
J.Mol.Biol., 384, 2008
|
|
7MNC
 | | PTP1B L204A | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
|
|
2WLC
 | | Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ... | | 著者 | Lee, H.J, Rakic, B, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | 登録日 | 2009-06-23 | | 公開日 | 2009-06-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase Oatwy from Neisseria Meningitidis.
J.Biol.Chem., 284, 2009
|
|
7MR7
 | | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain-containing protein 4 | | 著者 | Chan, A, Schonbrunn, E. | | 登録日 | 2021-05-07 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
|
|
7MNB
 | | PTP1B F225Y-R199N-L195R in complex with TCS401 | | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, CHLORIDE ION, GLYCEROL, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
|
|
8CVS
 | | Human PA200-20S proteasome with MG-132 | | 分子名称: | INOSITOL HEXAKISPHOSPHATE, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome activator complex subunit 4, ... | | 著者 | Zhao, J. | | 登録日 | 2022-05-18 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
2X78
 | | Human foamy virus integrase - catalytic core. | | 分子名称: | INTEGRASE | | 著者 | Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A. | | 登録日 | 2010-02-24 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
|
|
7MKZ
 | | PTP1B F225Y mutant, open state | | 分子名称: | CHLORIDE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-27 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
|
|
5EPL
 | | Crystal Structure of chromodomain of CBX4 in complex with inhibitor UNC3866 | | 分子名称: | E3 SUMO-protein ligase CBX4, UNKNOWN ATOM OR ION, unc3866 | | 著者 | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2015-11-11 | | 公開日 | 2015-12-23 | | 最終更新日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
|
|
