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6JMF
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BU of 6jmf by Molmil
Crystal structure of human tyrosine-protein kinase Fes/Fps in complex with compound 4
分子名称: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide, SULFATE ION, Tyrosine-protein kinase Fes/Fps
著者Baba, D, Hanzawa, H.
登録日2019-03-08
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity.
Acs Med.Chem.Lett., 10, 2019
4IO4
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BU of 4io4 by Molmil
Crystal Structure of the AvGluR1 ligand binding domain complex with serine at 1.94 Angstrom resolution
分子名称: AvGluR1 ligand binding domain, CHLORIDE ION, GLYCEROL, ...
著者Lomash, S, Chittori, S, Mayer, M.L.
登録日2013-01-07
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Anions Mediate Ligand Binding in Adineta vaga Glutamate Receptor Ion Channels.
Structure, 21, 2013
4IDE
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BU of 4ide by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADP+ and EDHMF
分子名称: (2E)-2-ethylidene-4-hydroxy-5-methylfuran-3(2H)-one, 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schiefner, A, Skerra, A.
登録日2012-12-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
4LNF
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BU of 4lnf by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of GS-Q
分子名称: GLUTAMINE, Glutamine synthetase, MAGNESIUM ION, ...
著者Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
登録日2013-07-11
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.949 Å)
主引用文献Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4LCN
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BU of 4lcn by Molmil
Crytsal structure of NE0047 in complex with 2'-DEOXY-GUANOSINE
分子名称: 1,2-ETHANEDIOL, 2'-DEOXY-GUANOSINE, Cytidine and deoxycytidylate deaminase zinc-binding region, ...
著者Anand, R, Bitra, A, Biswas, A.
登録日2013-06-22
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase
Biochemistry, 52, 2013
4IDA
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BU of 4ida by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in its apo form
分子名称: 1,2-ETHANEDIOL, Ripening-induced protein, SULFATE ION
著者Schiefner, A, Skerra, A.
登録日2012-12-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
4IGK
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BU of 4igk by Molmil
Structure of human BRCA1 BRCT in complex with ATRIP peptide
分子名称: ATRIP peptide, Breast cancer type 1 susceptibility protein, GLYCEROL
著者Liu, X, Ladias, J.A.A.
登録日2012-12-17
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for the BRCA1 BRCT Interaction with the Proteins ATRIP and BAAT1.
Biochemistry, 52, 2013
4IM9
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BU of 4im9 by Molmil
Cystal structure of DnaG primase C-terminal domain from Vibrio cholerae
分子名称: DNA primase
著者Abdul Rehman, S.A, Tarique, K.F, Gourinath, S.
登録日2013-01-02
公開日2014-05-07
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Cystal structure of DnaG primase C-terminal domain from Vibrio cholerae
To be Published
4QMP
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BU of 4qmp by Molmil
MST3 IN COMPLEX WITH CDK1/2 INHIBITOR III, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
分子名称: 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Serine/threonine-protein kinase 24
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4IO7
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BU of 4io7 by Molmil
Crystal Structure of the AvGluR1 ligand binding domain complex with phenylalanine at 1.9 Angstrom resolution
分子名称: AvGluR1 ligand binding domain, CHLORIDE ION, PHENYLALANINE
著者Lomash, S, Chittori, S, Mayer, M.L.
登録日2013-01-07
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Anions Mediate Ligand Binding in Adineta vaga Glutamate Receptor Ion Channels.
Structure, 21, 2013
4QMX
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MST3 in complex with SARACATINIB
分子名称: N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, SERINE/THREONINE-PROTEIN KINASE 24
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
6SZW
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BU of 6szw by Molmil
Asymmetric complex of Factor XII and kininogen with gC1qR/C1QBP/P32 is governed by allostery
分子名称: Coagulation factor XII, Complement component 1 Q subcomponent-binding protein, mitochondrial, ...
著者Kaira, B.G, Emsley, J.
登録日2019-10-02
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.
Blood, 136, 2020
4QMM
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BU of 4qmm by Molmil
MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM
分子名称: 1,2-ETHANEDIOL, 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, ACETATE ION, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QMW
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BU of 4qmw by Molmil
MST3 IN COMPLEX WITH PP-121, 1-CYCLOPENTYL-3-(1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
分子名称: 1,2-ETHANEDIOL, 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4IO2
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BU of 4io2 by Molmil
Crystal Structure of the AvGluR1 ligand binding domain complex with glutamate at 1.37 Angstrom resolution
分子名称: CHLORIDE ION, GLUTAMIC ACID, Glutamate receptor 1
著者Lomash, S, Chittori, S, Mayer, M.L.
登録日2013-01-07
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Anions Mediate Ligand Binding in Adineta vaga Glutamate Receptor Ion Channels.
Structure, 21, 2013
4LND
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BU of 4lnd by Molmil
Crystal structure of human apurinic/apyrimidinic endonuclease 1 with essential Mg2+ cofactor
分子名称: DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION
著者Manvilla, B.A, Pozharski, E, Toth, E.A, Drohat, A.C.
登録日2013-07-11
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure of human apurinic/apyrimidinic endonuclease 1 with the essential Mg(2+) cofactor.
Acta Crystallogr.,Sect.D, 69, 2013
4LNN
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BU of 4lnn by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of apo form of GS
分子名称: Glutamine synthetase, MAGNESIUM ION, SULFATE ION
著者Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
登録日2013-07-11
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4QMO
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BU of 4qmo by Molmil
MST3 IN COMPLEX WITH Imidazolo-oxindole PKR inhibitor C16
分子名称: (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QMV
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BU of 4qmv by Molmil
MST3 IN COMPLEX WITH PF-03814735, N-{2-[(1S,4R)-6-{[4-(CYCLOBUTYLAMINO)-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]AMINO}-1,2,3,4-TETRAHYDRO-1,4-EPIMINONAPHTHALEN-9-YL]-2-OXOETHYL}ACETAMIDE
分子名称: 1,2-ETHANEDIOL, N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide, SERINE/THREONINE-PROTEIN KINASE 24
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4LNI
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B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of the transition state complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ...
著者Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
登録日2013-07-11
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5793 Å)
主引用文献Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4LNO
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B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: form two of GS-1
分子名称: GLUTAMINE, Glutamine synthetase, MAGNESIUM ION
著者Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
登録日2013-07-11
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4QMQ
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MST3 in complex with CP-673451
分子名称: 1,2-ETHANEDIOL, 1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine, DI(HYDROXYETHYL)ETHER, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QMY
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MST3 IN COMPLEX WITH STAUROSPORINE
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE 24, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.883 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QML
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MST3 in complex with AMP-PNP
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QMU
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MST3 IN COMPLEX WITH JNJ-7706621, 4-({5-AMINO-1-[(2,6-DIFLUOROPHENYL)CARBONYL]-1H-1,2,4-TRIAZOL-3-YL}AMINO)BENZENESULFONAMIDE
分子名称: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.546 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016

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