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4AVK
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Structure of trigonal FimH lectin domain crystal soaked with an alpha- D-mannoside O-linked to propynyl pyridine at 2.4A resolution
分子名称: 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside, FIMH, NICKEL (II) ION, ...
著者Wellens, A, Lahmann, M, Touaibia, M, Vaucher, J, Oscarson, S, Roy, R, Remaut, H, Bouckaert, J.
登録日2012-05-26
公開日2012-06-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh.
Biochemistry, 51, 2012
3PG2
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BU of 3pg2 by Molmil
The Crystal structure of the major pilin GBS80 of Streptococcus agalactiae 35 kDa C-terminal fragment
分子名称: CALCIUM ION, Cell wall surface anchor family protein
著者Vengadesan, K, Narayana, S.V.L.
登録日2010-10-29
公開日2011-03-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Model for Group B Streptococcus Pilus Type 1: The Structure of a 35-kDa C-Terminal Fragment of the Major Pilin GBS80.
J.Mol.Biol., 407, 2011
2W1Y
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BU of 2w1y by Molmil
THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 1.540 A wavelength 180 images data
分子名称: CHLORIDE ION, LYSOZYME C, SODIUM ION
著者Cianci, M, Helliwell, J.R, Suzuki, A.
登録日2008-10-21
公開日2008-11-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64, 2008
3PGI
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BU of 3pgi by Molmil
Endothiapepsin in complex with a fragment
分子名称: Endothiapepsin, GLYCEROL, N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
著者Koester, H, Heine, A, Klebe, G.
登録日2010-11-02
公開日2011-10-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
3PGL
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BU of 3pgl by Molmil
Crystal structure of human small C-terminal domain phosphatase 1 (Scp1) bound to rabeprazole
分子名称: 2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole, Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION
著者Zhang, M, Cho, E.J, Burstein, G, Siegel, D, Zhang, Y.
登録日2010-11-02
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Selective inactivation of a human neuronal silencing phosphatase by a small molecule inhibitor.
Acs Chem.Biol., 6, 2011
6JGG
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BU of 6jgg by Molmil
Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 2-thio-beta-sophoroside.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-14
公開日2020-08-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
1GUW
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BU of 1guw by Molmil
STRUCTURE OF THE CHROMODOMAIN FROM MOUSE HP1beta IN COMPLEX WITH THE LYSINE 9-METHYL HISTONE H3 N-TERMINAL PEPTIDE, NMR, 25 STRUCTURES
分子名称: CHROMOBOX PROTEIN HOMOLOG 1, HISTONE H3.1
著者Nielsen, P.R, Nietlispach, D, Mott, H.R, Callaghan, J.M, Bannister, A, Kouzarides, T, Murzin, A.G, Murzina, N.V, Laue, E.D.
登録日2002-02-01
公開日2002-03-12
最終更新日2025-04-09
実験手法SOLUTION NMR
主引用文献Structure of the Hp1 Chromodomain Bound to Histone H3 Methylated at Lysine 9
Nature, 416, 2002
2PL7
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BU of 2pl7 by Molmil
Orhorhombic crystal structure of hydrophobin HFBII in the presence of a detergent
分子名称: Hydrophobin-2, SULFATE ION, heptyl 1-thio-beta-D-glucopyranoside
著者Kallio, J.M, Rouvinen, J.P.
登録日2007-04-19
公開日2007-07-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Crystal Structures of Hydrophobin HFBII in the Presence of Detergent Implicate the Formation of Fibrils and Monolayer Films.
J.Biol.Chem., 282, 2007
2IM9
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BU of 2im9 by Molmil
Crystal structure of protein LPG0564 from Legionella pneumophila str. Philadelphia 1, Pfam DUF1460
分子名称: Hypothetical protein
著者Bonanno, J.B, Freeman, J, Bain, K.T, Powell, A, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-10-04
公開日2006-10-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structure of hypothetical protein from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
TO BE PUBLISHED
2F4J
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BU of 2f4j by Molmil
Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680
分子名称: CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Young, M.A, Shah, N.P, Chao, L.H, Zarrinkar, P, Sawyers, P, Kuriyan, J.
登録日2005-11-23
公開日2006-01-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure of the kinase domain of an imatinib-resistant Abl mutant in complex with the Aurora kinase inhibitor VX-680.
Cancer Res., 66, 2006
5SZN
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BU of 5szn by Molmil
Protocadherin gamma A9 extracellular cadherin domains 1-5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
登録日2016-08-14
公開日2016-10-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.944 Å)
主引用文献gamma-Protocadherin structural diversity and functional implications.
Elife, 5, 2016
1BIJ
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BU of 1bij by Molmil
CROSSLINKED, DEOXY HUMAN HEMOGLOBIN A
分子名称: BUT-2-ENEDIAL, HEMOGLOBIN A, PROTOPORPHYRIN IX CONTAINING FE
著者Fernandez, E.J, Abad-Zapatero, C, Olsen, K.W.
登録日1998-06-18
公開日1999-03-30
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Lysbeta(1)82-Lysbeta(2)82 crosslinked hemoglobin: a possible allosteric intermediate
J.Mol.Biol., 296, 2000
4JKI
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BU of 4jki by Molmil
Crystal Structure of N10-Formyltetrahydrofolate Synthetase with ZD9331, Formylphosphate, and ADP
分子名称: 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one, ADENOSINE-5'-DIPHOSPHATE, Formate--tetrahydrofolate ligase, ...
著者Celeste, L.R, Lovelace, L.L, Lebioda, L.
登録日2013-03-09
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors.
Protein Sci., 21, 2012
1NN6
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BU of 1nn6 by Molmil
Human Pro-Chymase
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, Chymase
著者Reiling, K.K, Krucinski, J, Miercke, L.J.W, Raymond, W.W, Caughey, G.H, Stroud, R.M.
登録日2003-01-12
公開日2003-03-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of human pro-chymase: a model for the activating transition of granule-associated proteases.
Biochemistry, 42, 2003
3PFV
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BU of 3pfv by Molmil
Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
分子名称: 1,2-ETHANEDIOL, 11-meric peptide from Epidermal growth factor receptor, CHLORIDE ION, ...
著者Chaikuad, A, Guo, K, Cooper, C.D.O, Ayinampudi, V, Krojer, T, Muniz, J.R.C, Vollmar, M, Canning, P, Gileadi, O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-10-29
公開日2010-12-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
To be Published
6JGB
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BU of 6jgb by Molmil
Crystal structure of barley exohydrolaseI W286F mutant in complex with methyl 6-thio-beta-gentiobioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-13
公開日2020-08-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
2J9C
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Structure of GlnK1 with bound effectors indicates regulatory mechanism for ammonia uptake
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Yildiz, O, Kalthoff, C, Raunser, S, Kuehlbrandt, W.
登録日2006-11-07
公開日2007-01-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of Glnk1 with Bound Effectors Indicates Regulatory Mechanism for Ammonia Uptake.
Embo J., 26, 2007
3KN2
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BU of 3kn2 by Molmil
HCV NS3 Protease Domain with ketoamide inhibitor
分子名称: (1R,2S,5S)-3-{(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[({(1S)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-N-{(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, HCV NS3 Protease Domain, Peptide KK-NS4A-KK, ...
著者Nair, L.G, Sannigrahi, M, Pinto, P, Bogen, S, Chen, K.X, Njoroge, G, Prongay, A.
登録日2009-11-11
公開日2010-01-19
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献P4 capped amides and lactams as HCV NS3 protease inhibitors with improved potency and DMPK profile.
Bioorg.Med.Chem.Lett., 20, 2010
2PLL
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BU of 2pll by Molmil
Crystal structure of perdeuterated human arginase I
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, MANGANESE (II) ION, arginase-1
著者Di Costanzo, L, Moulin, M, Haertlein, M, Meilleur, F, Christianson, D.W.
登録日2007-04-19
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Expression, purification, assay, and crystal structure of perdeuterated human arginase I
Arch.Biochem.Biophys., 465, 2007
3BEG
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BU of 3beg by Molmil
Crystal structure of SR protein kinase 1 complexed to its substrate ASF/SF2
分子名称: ALANINE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHOSERINE, ...
著者Ngo, J.C, Giang, K, Chakrabarti, S, Ma, C.-T, Huynh, N, Hagopian, J, Dorrestein, P.C, Fu, X.-D, Adams, J.A, Ghosh, G.
登録日2007-11-18
公開日2008-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A sliding docking interaction is essential for sequential and processive phosphorylation of an SR protein by SRPK1
Mol.Cell, 29, 2008
2IL2
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Crystal Structure of Human Renin Complexed with Inhibitor
分子名称: CITRIC ACID, N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE, Renin
著者Mochalkin, I.
登録日2006-10-02
公開日2006-12-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
2F57
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Crystal Structure Of The Human P21-Activated Kinase 5
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE, Serine/threonine-protein kinase PAK 7
著者Eswaran, J, Turnbull, A, Ugochukwu, E, Papagrigoriou, E, Bray, J, Das, S, Savitsky, P, Smee, C, Burgess, N, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Sundstrom, M, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2005-11-25
公開日2005-12-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs.
Structure, 15, 2007
2IN3
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Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Hypothetical protein, ...
著者Cuff, M.E, Skarina, T, Onopriyenko, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-10-05
公開日2006-11-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea
To be Published
2F6F
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The structure of the S295F mutant of human PTP1B
分子名称: CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein phosphatase, ...
著者Montalibet, J, Skorey, K, McKay, D, Scapin, G, Asante-Appiah, E, Kennedy, B.P.
登録日2005-11-29
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Residues distant from the active site influence protein-tyrosine phosphatase 1B inhibitor binding.
J.Biol.Chem., 281, 2006
6J8H
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BU of 6j8h by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down)
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, Sodium channel protein type 9 subunit alpha, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019

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