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PDB: 42507 件

5AD2
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Bivalent binding to BET bromodomains
分子名称: (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4
著者Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
登録日2015-08-19
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
7K3A
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BU of 7k3a by Molmil
Structure of full-length influenza HA with a head-binding antibody at pH 5.2, conformation B, fusion peptide release
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, Hemagglutinin, ...
著者Gui, M, Gao, J, Xiang, Y.
登録日2020-09-10
公開日2020-11-11
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural intermediates in the low pH-induced transition of influenza hemagglutinin.
Plos Pathog., 16, 2020
1KDH
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Binary Complex of Murine Terminal Deoxynucleotidyl Transferase with a Primer Single Stranded DNA
分子名称: 5'-D(P*(BRU)P*(BRU)P*(BRU)P*(BRU))-3', MAGNESIUM ION, SODIUM ION, ...
著者Delarue, M, Boule, J.B, Lescar, J, Expert-Bezancon, N, Jourdan, N, Sukumar, N, Rougeon, F, Papanicolaou, C.
登録日2001-11-13
公開日2002-05-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of a template-independent DNA polymerase: murine terminal deoxynucleotidyltransferase.
EMBO J., 21, 2002
8A0U
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Crystal structure of TEAD3 in complex with CPD4
分子名称: 2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide, MYRISTIC ACID, PHOSPHATE ION, ...
著者Scheufler, C, Kallen, J.
登録日2022-05-30
公開日2022-08-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.895 Å)
主引用文献The First Class of Small Molecules Potently Disrupting the YAP-TEAD Interaction by Direct Competition.
Chemmedchem, 17, 2022
5AJL
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Sdsa sulfatase tetragonal
分子名称: ALKYL SULFATASE, ZINC ION
著者De la Mora, E, Flores-Hernandez, E, Jakoncic, J, Stojanoff, V, Sanchez-Puig, N, Moreno, A.
登録日2015-02-25
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Sdsa Polymorph Isolation and Improvement of Their Crystal Quality Using Nonconventional Crystallization Techniques
J.Appl.Crystallogr., 48, 2015
1KEJ
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Crystal Structure of Murine Terminal Deoxynucleotidyl Transferase complexed with ddATP
分子名称: 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, COBALT (II) ION, SODIUM ION, ...
著者Delarue, M, Boule, J.B, Lescar, J, Expert-Bezancon, N, Jourdan, N, Sukumar, N, Rougeon, F, Papanicolaou, C.
登録日2001-11-16
公開日2002-05-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of a template-independent DNA polymerase: murine terminal deoxynucleotidyltransferase.
EMBO J., 21, 2002
7K82
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The X-ray crystal structure of SSR4, an S. pombe chromatin remodelling protein: sulfur SAD
分子名称: CHLORIDE ION, GLYCEROL, SWI/SNF and RSC complexes subunit ssr4
著者Peat, T.S, Newman, J.
登録日2020-09-24
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The X-ray crystal structure of the N-terminal domain of Ssr4, a Schizosaccharomyces pombe chromatin-remodelling protein.
Acta Crystallogr.,Sect.F, 76, 2020
2Y6D
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BU of 2y6d by Molmil
The Discovery of MMP7 Inhibitors Exploiting a Novel Selectivity Trigger
分子名称: CALCIUM ION, MATRILYSIN, N-[(2S)-1-[4-(5-BROMOPYRIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL-5-PYRIMIDIN-2-YL-PENTAN-2-YL]-N-HYDROXY-METHANAMIDE, ...
著者Edman, K, Furber, M, Hemsley, P, Johansson, C, Pairaudeau, G, Petersen, J, Stocks, M, Tervo, A, Ward, A, Wells, E, Wissler, L.
登録日2011-01-20
公開日2011-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Discovery of Mmp7 Inhibitors Exploiting a Novel Selectivity Trigger.
Chemmedchem, 6, 2011
5IQN
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Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitution Q134E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_SRIRIRGYVR
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, Protein FimF, ...
著者Giese, C, Eras, J, Kern, A, Scharer, M.A, Capitani, G, Glockshuber, R.
登録日2016-03-11
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude.
Angew.Chem.Int.Ed.Engl., 55, 2016
2YKF
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Sensor region of a sensor histidine kinase
分子名称: BROMIDE ION, PROBABLE SENSOR HISTIDINE KINASE PDTAS, SULFATE ION
著者Preu, J, Panjikar, S, Morth, P, Jaiswal, R, Karunakar, P, Tucker, P.A.
登録日2011-05-26
公開日2012-06-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Sensor Region of the Ubiquitous Cytosolic Sensor Kinase, Pdtas, Contains Pas and Gaf Domain Sensing Modules.
J.Struct.Biol., 177, 2012
5IG0
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BU of 5ig0 by Molmil
Crystal structure of S. rosetta CaMKII hub
分子名称: CAMK/CAMK2 protein kinase, GLYCEROL, SULFATE ION
著者Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J.
登録日2016-02-26
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
8OE1
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Structure of P167S BlaC from Mycobacterium tuberculosis at pH 5
分子名称: Beta-lactamase, GLYCEROL
著者Sun, J, Chikunova, A, Ubbink, M.
登録日2023-03-10
公開日2023-08-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enhanced activity against a third-generation cephalosporin by destabilization of the active site of a class A beta-lactamase.
Int.J.Biol.Macromol., 250, 2023
2YIS
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triazolopyridine inhibitors of p38 kinase.
分子名称: 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14
著者Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M.
登録日2011-05-16
公開日2011-11-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
8OHA
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BU of 8oha by Molmil
Crystal structure of Leptospira interrogans GAPDH
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ...
著者Navas-Yuste, S, de la Paz, K, Querol-Garcia, J, Gomez-Quevedo, S, Rodriguez de Cordoba, S, Fernandez, F.J, Vega, M.C.
登録日2023-03-20
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The structure of Leptospira interrogans GAPDH sheds light into an immunoevasion factor that can target the anaphylatoxin C5a of innate immunity.
Front Immunol, 14, 2023
7K3B
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BU of 7k3b by Molmil
Structure of full-length influenza HA with a head-binding antibody at pH 5.2, conformation C, central helices splay
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, Hemagglutinin, ...
著者Gui, M, Gao, J, Xiang, Y.
登録日2020-09-10
公開日2020-11-11
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural intermediates in the low pH-induced transition of influenza hemagglutinin.
Plos Pathog., 16, 2020
5AHY
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Halorhodopsin from Halobacterium salinarum in a new rhombohedral crystal form
分子名称: CHLORIDE ION, HALORHODOPSIN, RETINAL, ...
著者Schreiner, M, Schlesinger, R, Heberle, J, Niemann, H.H.
登録日2015-02-11
公開日2015-04-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of Halorhodopsin from Halobacterium Salinarum in a New Crystal Form that Imposes Little Restraint on the E-F Loop.
J.Struct.Biol., 190, 2015
1KQP
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NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS AT 1 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, ...
著者Symersky, J, Devedjiev, Y, Moore, K, Brouillette, C, DeLucas, L.
登録日2002-01-07
公開日2002-06-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献NH3-dependent NAD+ synthetase from Bacillus subtilis at 1 A resolution.
Acta Crystallogr.,Sect.D, 58, 2002
8OE5
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Structure of P167S BlaC from Mycobacterium tuberculosis at pH 6.3
分子名称: Beta-lactamase, CITRATE ANION, GLYCEROL
著者Sun, J, Chikunova, A, Ubbink, M.
登録日2023-03-10
公開日2023-08-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enhanced activity against a third-generation cephalosporin by destabilization of the active site of a class A beta-lactamase.
Int.J.Biol.Macromol., 250, 2023
2YOG
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Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor
分子名称: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea, THYMIDYLATE KINASE
著者Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H.
登録日2012-10-24
公開日2013-07-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
7ZJ3
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Structure of TRIM2 RING domain in complex with UBE2D1~Ub conjugate
分子名称: Polyubiquitin-C, Tripartite motif-containing protein 2, Ubiquitin-conjugating enzyme E2 D1, ...
著者Esposito, D, Garza-Garcia, A, Dudley-Fraser, J, Rittinger, K.
登録日2022-04-08
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Divergent self-association properties of paralogous proteins TRIM2 and TRIM3 regulate their E3 ligase activity.
Nat Commun, 13, 2022
1GAL
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BU of 1gal by Molmil
CRYSTAL STRUCTURE OF GLUCOSE OXIDASE FROM ASPERGILLUS NIGER: REFINED AT 2.3 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, GLUCOSE OXIDASE, ...
著者Hecht, H.J, Kalisz, K, Hendle, J, Schmid, R.D, Schomburg, D.
登録日1992-08-27
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of glucose oxidase from Aspergillus niger refined at 2.3 A resolution.
J.Mol.Biol., 229, 1993
5AHT
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Third WW domain from the E3 ubiquitin-protein ligase NEDD4
分子名称: E3 UBIQUITIN-PROTEIN LIGASE NEDD4
著者Panwalkar, V, Lecher, J, Dingley, A.
登録日2015-02-09
公開日2016-01-27
最終更新日2024-01-31
実験手法SOLUTION NMR
主引用文献The Nedd4-1 Ww Domain Recognizes the Py Motif Peptide Through Coupled Folding and Binding Equilibria.
Biochemistry, 55, 2016
5AK9
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THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF 2MM MN
分子名称: 25MER, 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP)-3, ...
著者Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J.
登録日2015-03-02
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
5AKM
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THE CRYSTAL STRUCTURE OF I-DMOI G20S IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF 2MM MG
分子名称: 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*CP)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*CP)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', ...
著者Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J.
登録日2015-03-04
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
1PJX
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0.85 ANGSTROM STRUCTURE OF SQUID GANGLION DFPASE
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, ...
著者Koepke, J, Rueterjans, H, Luecke, C, Fritzsch, G.
登録日2003-06-04
公開日2004-06-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Statistical analysis of crystallographic data obtained from squid ganglion DFPase at 0.85 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003

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