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4R9Y
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Crystal structure of KKOFab in complex with platelet factor 4
分子名称: Platelet factor 4, Platelet factor 4 antibody KKO heavy chain, Platelet factor 4 antibody KKO light chain
著者Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
登録日2014-09-08
公開日2015-12-16
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.11 Å)
主引用文献Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
6BMG
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BU of 6bmg by Molmil
Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)
分子名称: ACETATE ION, CADMIUM ION, Myoglobin, ...
著者Samuel, P.P, Miller, M.D, Xu, W, Alvarado, S, Phillips Jr, G.N, Olson, J.S.
登録日2017-11-14
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)
To Be Published
6RVA
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BU of 6rva by Molmil
STRUCTURE OF [ASP58]-IGF-I ANALOGUE
分子名称: Insulin-like growth factor I
著者Jiracek, J, Zakova, L, Socha, O.
登録日2019-05-31
公開日2019-10-02
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Mutations at hypothetical binding site 2 in insulin and insulin-like growth factors 1 and 2 result in receptor- and hormone-specific responses.
J.Biol.Chem., 294, 2019
7THS
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BU of 7ths by Molmil
Macrocyclic plasmin inhibitor
分子名称: (2S)-butane-1,2-diol, (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide, Plasminogen, ...
著者Guojie, W.
登録日2022-01-12
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors.
Chemmedchem, 18, 2023
4RCE
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BU of 4rce by Molmil
Crystal structure of BACE1 in complex with aminooxazoline xanthene inhibitor 2
分子名称: (4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, IODIDE ION
著者Whittington, D.A, Long, A.M.
登録日2014-09-15
公開日2014-12-24
最終更新日2015-01-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
4Y8D
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BU of 4y8d by Molmil
Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor
分子名称: 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-02-16
公開日2015-04-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents.
J.Med.Chem., 58, 2015
6RSA
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BU of 6rsa by Molmil
NUCLEAR MAGNETIC RESONANCE AND NEUTRON DIFFRACTION STUDIES OF THE COMPLEX OF RIBONUCLEASE*A WITH URIDINE VANADATE, A TRANSITION-STATE ANALOGUE
分子名称: RIBONUCLEASE A, URIDINE-2',3'-VANADATE
著者Wlodawer, A.
登録日1986-02-25
公開日1986-05-07
最終更新日2024-06-05
実験手法NEUTRON DIFFRACTION (2 Å), SOLUTION NMR
主引用文献Nuclear magnetic resonance and neutron diffraction studies of the complex of ribonuclease A with uridine vanadate, a transition-state analogue.
Biochemistry, 24, 1985
6BJ5
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BU of 6bj5 by Molmil
Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1)
分子名称: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mahon, B.P, Lomelino, C.L, McKenna, R.
登録日2017-11-05
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1)
To Be Published
8FPX
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BU of 8fpx by Molmil
Crystal structure of tumor related RhoA mutant A161P in complex with GDP
分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lin, Y, Zheng, Y.
登録日2023-01-05
公開日2024-06-05
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Tumor-derived RHOA mutants interact with effectors in the GDP-bound state.
Nat Commun, 15, 2024
8FPW
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BU of 8fpw by Molmil
Crystal structure of tumor related RhoA mutant A161V in complex with GDP
分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lin, Y, Zheng, Y.
登録日2023-01-05
公開日2024-06-05
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Tumor-derived RHOA mutants interact with effectors in the GDP-bound state.
Nat Commun, 15, 2024
5CNG
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BU of 5cng by Molmil
ultrafast dynamics in myoglobin: 150 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
8U1Q
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BU of 8u1q by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-2D10 heavy chain, ...
著者Ferguson, J.A, Oeverdieck, S, Ward, A.B.
登録日2023-09-01
公開日2024-03-27
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
4R2D
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BU of 4r2d by Molmil
Egr1/Zif268 zinc fingers in complex with formylated DNA
分子名称: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5FC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5FC)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), Early growth response protein 1, ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-11
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.088 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
6BKV
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BU of 6bkv by Molmil
Crystal structure of Thioredoxin from Helicobacter pylori (strain G27)
分子名称: Thioredoxin
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-11-09
公開日2017-12-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of Thioredoxin from Helicobacter pylori (strain G27)
To be Published
5CEM
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BU of 5cem by Molmil
Pseudokinase and C-terminal extension of Human Tribbles Homolog 1
分子名称: SULFATE ION, Tribbles homolog 1
著者Mace, P.D, Nakatani, Y.
登録日2015-07-07
公開日2015-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Mechanism of CCAAT-Enhancer Binding Protein Recruitment by the TRIB1 Pseudokinase.
Structure, 23, 2015
4R2P
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BU of 4r2p by Molmil
Wilms Tumor Protein (WT1) zinc fingers in complex with hydroxymethylated DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5HC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5HC)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-12
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.788 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
6S8Y
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BU of 6s8y by Molmil
Crystal structure of cytochrome c in complex with a sulfonated quinoline-derived foldamer
分子名称: 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate, ACETATE ION, Cytochrome c iso-1, ...
著者Alex, J.M, Corvaglia, V, Hu, X, Engilberge, S, Huc, I, Crowley, P.B.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of a protein-aromatic foldamer composite: macromolecular chiral resolution.
Chem.Commun.(Camb.), 55, 2019
8DNI
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BU of 8dni by Molmil
Crystal structure of human KRAS G12C covalently bound with Araxes WO2020/028706A1 compound I-1
分子名称: (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mohr, C.
登録日2022-07-11
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
4YU2
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BU of 4yu2 by Molmil
Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor
分子名称: (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ...
著者Chaikuad, A, Wurzlbauer, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-03-18
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine.
Molecules, 25, 2020
4R3C
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BU of 4r3c by Molmil
Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ...
著者Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M.
登録日2014-08-14
公開日2015-02-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
ACS Chem Neurosci, 6, 2015
8DNJ
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BU of 8dnj by Molmil
Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76
分子名称: 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Mohr, C.
登録日2022-07-11
公開日2022-08-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
5WB1
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BU of 5wb1 by Molmil
Ligand-free US28 with stabilizing intracellular nanobody
分子名称: Envelope protein US28, nanobody 7 fusion protein
著者Jude, K.M, Burg, J.S, Garcia, K.C.
登録日2017-06-27
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.508 Å)
主引用文献Viral GPCR US28 can signal in response to chemokine agonists of nearly unlimited structural degeneracy.
Elife, 7, 2018
8DZT
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BU of 8dzt by Molmil
Crystal structure of human Sar1aH79G mutant
分子名称: CALCIUM ION, GTP-binding protein SAR1a, GUANOSINE-5',3'-TETRAPHOSPHATE, ...
著者Huang, Q.
登録日2022-08-08
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1.
Proteins, 91, 2023
7U08
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BU of 7u08 by Molmil
Structure of CD148 fibronectin type III domain 1 and 2
分子名称: PLATINUM (II) ION, Receptor-type tyrosine-protein phosphatase eta
著者Zhou, D, Zhu, J.
登録日2022-02-17
公開日2023-02-22
実験手法X-RAY DIFFRACTION (3.30691743 Å)
主引用文献Structure of CD148 fibronectin type III domain 1 and 2
To Be Published
5WK3
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BU of 5wk3 by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CCL17 AND M116 FAB
分子名称: C-C motif chemokine 17, GLYCEROL, M116 HEAVY CHAIN, ...
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2017-07-24
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into chemokine CCL17 recognition by antibody M116.
Biochem Biophys Rep, 13, 2018

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