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4E6D
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JAK2 kinase (JH1 domain) triple mutant in complex with compound 7
分子名称: 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile, GLYCEROL, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-03-15
公開日2012-05-30
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
4EH7
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Human p38 MAP kinase in complex with NP-F6 and RL87
分子名称: (3-phenoxyphenyl)methanol, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4NBL
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BU of 4nbl by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-23
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.756 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4EK2
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The structure of nucleoside diphosphate kinase (NDK) from Burkholderia thailandensis bound to deoxyadenosine monophosphate
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-09
公開日2012-05-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4EDZ
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Crystal structure of hH-PGDS with water displacing inhibitor
分子名称: 4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ...
著者Day, J.E, Thorarensen, A, Trujillo, J.I.
登録日2012-03-27
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
4EED
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CorA coiled-coil mutant under Mg2+ presence
分子名称: MAGNESIUM ION, Magnesium transport protein CorA
著者Pfoh, R, Pai, E.F.
登録日2012-03-28
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.92 Å)
主引用文献Structural asymmetry in the magnesium channel CorA points to sequential allosteric regulation.
Proc.Natl.Acad.Sci.USA, 109, 2012
4MVY
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Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea (Chem 1387)
分子名称: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.314 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4EGF
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BU of 4egf by Molmil
Crystal structure of a L-xylulose reductase from Mycobacterium smegmatis
分子名称: L-xylulose reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Arakaki, T.L, Staker, B.L, Fairman, J.W.
登録日2012-03-30
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4N41
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Structure of Thermus thermophilus Argonaute bound to guide DNA and 15-mer target DNA
分子名称: 5'-D(*AP*AP*CP*CP*TP*AP*CP*TP*GP*CP*CP*TP*CP*G)-3', 5'-D(P*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*T*GP*TP*AP*TP*AP*GP*T)-3', ...
著者Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
登録日2013-10-08
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
4EI7
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Crystal structure of Bacillus cereus TubZ, GDP-form
分子名称: GUANOSINE-5'-DIPHOSPHATE, Plasmid replication protein RepX
著者Hayashi, I, Hoshino, S.
登録日2012-04-05
公開日2012-08-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Filament formation of the FtsZ/tubulin-like protein TubZ from the Bacillus cereus pXO1 plasmid.
J.Biol.Chem., 287, 2012
4N5J
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BU of 4n5j by Molmil
Crystal structure of hemagglutinin from an H7N9 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Xu, R, Wilson, I.A.
登録日2013-10-10
公開日2013-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Preferential recognition of avian-like receptors in human influenza A H7N9 viruses.
Science, 342, 2013
4MZZ
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BU of 4mzz by Molmil
Crystal structure of Bovine 3 Glu-Osteocalcin.
分子名称: Osteocalcin
著者Malashkevich, V.N, Dowd, T.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-09-30
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献X-ray crystal structure of bovine 3 Glu-osteocalcin.
Biochemistry, 52, 2013
4N71
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X-Ray Crystal Structure of 2-amino-1-hydroxyethylphosphonate-bound PhnZ
分子名称: FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid
著者Woersdoerfer, B, Lingaraju, M, Yennawar, N, Boal, A.K, Krebs, C, Bollinger Jr, J.M, Pandelia, M.-E.
登録日2013-10-14
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.984 Å)
主引用文献Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases.
Proc.Natl.Acad.Sci.USA, 110, 2013
4N9P
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Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/L25A/V99T at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2013-10-21
公開日2013-12-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Cavities in proteins
To be Published
4EQO
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BU of 4eqo by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V99D at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Robinson, A.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2012-04-19
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS V99D at cryogenic temperature
To be Published
4MSW
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BU of 4msw by Molmil
Y78 ester mutant of KcsA in high K+
分子名称: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, DIACYL GLYCEROL, ...
著者Matulef, K, Valiyaveetil, F.I.
登録日2013-09-18
公開日2013-10-30
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Using protein backbone mutagenesis to dissect the link between ion occupancy and C-type inactivation in K+ channels.
Proc.Natl.Acad.Sci.USA, 110, 2013
4ERS
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BU of 4ers by Molmil
A Molecular Basis for Negative Regulation of the Glucagon Receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
著者Murray, J.M, Koth, C.M, Mukund, S.
登録日2012-04-20
公開日2012-08-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.637 Å)
主引用文献Molecular basis for negative regulation of the glucagon receptor.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ER3
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BU of 4er3 by Molmil
Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777
分子名称: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4N64
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Crystal structure of hemagglutinin from an H7N9 influenza virus in complex with a biantennary glycan receptor
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 HA1, ...
著者Xu, R, Wilson, I.A.
登録日2013-10-11
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7014 Å)
主引用文献Preferential recognition of avian-like receptors in human influenza A H7N9 viruses.
Science, 342, 2013
4ERZ
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X-ray structure of WDR5-MLL4 Win motif peptide binary complex
分子名称: Histone-lysine N-methyltransferase MLL4, WD repeat-containing protein 5
著者Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
登録日2012-04-21
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
4MW1
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Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1444)
分子名称: 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4ETQ
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BU of 4etq by Molmil
Vaccinia virus D8L IMV envelope protein in complex with Fab of murine IgG2a LA5
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Matho, M.H, Zajonc, D.M.
登録日2012-04-24
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
4N7N
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Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of full-liganded human haemoglobin with phosphate at 2.75 A resolution.
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Sugiyama, K, Shibayama, N, Park, S.Y.
登録日2013-10-16
公開日2014-04-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.754 Å)
主引用文献Capturing the hemoglobin allosteric transition in a single crystal form
J.Am.Chem.Soc., 136, 2014
4EYA
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Crystal Structure of a Plectonemic RNA Supercoil
分子名称: GLYCEROL, N utilization substance protein B homolog, RNA (5'-R(*GP*GP*CP*UP*CP*CP*UP*UP*GP*GP*CP*A)-3'), ...
著者Stagno, J.R, Ji, X.
登録日2012-05-01
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a plectonemic RNA supercoil.
Nat Commun, 3, 2012
4EX4
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The Structure of GlcB from Mycobacterium leprae
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Malate synthase G
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-29
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structure of GlcB from Mycobacterium leprae
TO BE PUBLISHED

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