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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
4QN6
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Crystal structure of Neuraminidase N6 complexed with Laninamivir
分子名称: 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, Neuraminidase, ...
著者Sun, X, Li, Q, Wu, Y, Liu, Y, Qi, J, Vavricka, C.J, Gao, G.F.
登録日2014-06-17
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
J.Virol., 88, 2014
4QML
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BU of 4qml by Molmil
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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BU of 4qmu by Molmil
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
4QNA
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BU of 4qna by Molmil
MST3 IN COMPLEX WITH 2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
分子名称: 2-(4,6-diamino-1,3,5-triazin-2-yl)phenol, SERINE/THREONINE-PROTEIN KINASE 24
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-17
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QPB
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BU of 4qpb by Molmil
Catalytic domain of the antimicrobial peptidase lysostaphin from Staphylococcus simulans crystallized in the absence of phosphate
分子名称: 1,2-ETHANEDIOL, Lysostaphin, ZINC ION
著者Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M.
登録日2014-06-22
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans.
Febs J., 281, 2014
1TDW
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BU of 1tdw by Molmil
Crystal structure of double truncated human phenylalanine hydroxylase BH4-responsive PKU mutant A313T.
分子名称: FE (III) ION, Phenylalanine-4-hydroxylase
著者Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C.
登録日2004-05-24
公開日2004-11-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
4QMT
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BU of 4qmt by Molmil
MST3 in complex with HESPERADIN
分子名称: 1,2-ETHANEDIOL, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, 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 (1.5 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QN3
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BU of 4qn3 by Molmil
Crystal structure of Neuraminidase N7
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, CALCIUM ION, ...
著者Sun, X, Li, Q, Wu, Y, Liu, Y, Qi, J, Vavricka, C.J, Gao, G.F.
登録日2014-06-17
公開日2014-07-30
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.092 Å)
主引用文献Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
J.Virol., 88, 2014
4QKN
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Crystal structure of FTO bound to a selective inhibitor
分子名称: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ...
著者Yang, C.-G, Huang, Y, Gan, J.
登録日2014-06-07
公開日2014-12-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5.
Nucleic Acids Res., 43, 2015
4QNS
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BU of 4qns by Molmil
Crystal structure of bromodomain from Plasmodium faciparum GCN5, PF3D7_0823300
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase GCN5, ...
著者Fonseca, M, Tallant, C, Knapp, S, Loppnau, P, von Delft, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC)
登録日2014-06-18
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Crystal structure of bromodomain from Plasmodium faciparum GCN5, PF3D7_0823300
TO BE PUBLISHED
4QNY
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BU of 4qny by Molmil
Crystal structure of MapK from Leishmania donovani, LDBPK_331470
分子名称: GLYCEROL, MAGNESIUM ION, Mitogen activated protein kinase, ...
著者Wernimont, A.K, Loppnau, P, Walker, J.R, Mangos, M, El Bakkouri, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2014-06-18
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.257 Å)
主引用文献Crystal structure of MapK from Leishmania donovani, LDBPK_331470
TO BE PUBLISHED
1THC
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BU of 1thc by Molmil
CRYSTAL STRUCTURE DETERMINATION AT 2.3A OF HUMAN TRANSTHYRETIN-3',5'-DIBROMO-2',4,4',6-TETRA-HYDROXYAURONE COMPLEX
分子名称: 3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE, TRANSTHYRETIN
著者Ciszak, E, Cody, V, Luft, J.R.
登録日1992-04-20
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure determination at 2.3-A resolution of human transthyretin-3',5'-dibromo-2',4,4',6-tetrahydroxyaurone complex.
Proc.Natl.Acad.Sci.USA, 89, 1992
1SZ7
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BU of 1sz7 by Molmil
Crystal structure of Human Bet3
分子名称: PALMITIC ACID, Trafficking protein particle complex subunit 3
著者Turnbull, A.P, Prinz, B, Holz, C, Behlke, J, Schultchen, J, Delbrueck, H, Niesen, F.H, Lang, C, Heinemann, U.
登録日2004-04-05
公開日2005-01-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of palmitoylated BET3: insights into TRAPP complex assembly and membrane localization
Embo J., 24, 2005
4QQI
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BU of 4qqi by Molmil
Crystal structure of ANKRA2-RFX7 complex
分子名称: Ankyrin repeat family A protein 2, DNA-binding protein RFX7, SULFATE ION, ...
著者Xu, C, Tempel, W, Dong, A, Mackenzie, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-09-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structure of ANKRA2-RFX7 complex
To Be Published
4QPZ
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BU of 4qpz by Molmil
Crystal structure of the formolase FLS_v2 in space group P 21
分子名称: Formolase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
著者Shen, B.W, Siegel, J.B, Stoddard, B.L, Baker, D.
登録日2014-06-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
4QRK
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BU of 4qrk by Molmil
Crystal structure of a putative cell adhesion protein (CLOSPO_03726) from Clostridium sporogenes ATCC 15579 at 1.95 A resolution
分子名称: ACETATE ION, CALCIUM ION, Hypothetical protein
著者Joint Center for Structural Genomics (JCSG)
登録日2014-07-01
公開日2014-07-23
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a hypothetical protein (CLOSPO_03726) from Clostridium sporogenes ATCC 15579 at 1.95 A resolution
To be published
7G00
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BU of 7g00 by Molmil
Crystal Structure of human FABP1 in complex with 2-[[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid
分子名称: 2-{[(3P)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, Fatty acid-binding protein, liver, ...
著者Ehler, A, Benz, J, Obst, U, Neidhart, W, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of a human FABP1 complex
To be published
4QU1
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Crystal structure of human JMJD5 jmj-c domain
分子名称: 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 8, ...
著者Liu, H.L, Wang, C, Zhang, G.Y.
登録日2014-07-10
公開日2015-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The Histone Arginine Demethylase JMJD5
To be Published
4QVX
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Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
分子名称: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
著者Park, C.H.
登録日2014-07-16
公開日2015-07-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
4QVK
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Apo-crystal structure of Podospora anserina methyltransferase PaMTH1
分子名称: 1,2-ETHANEDIOL, PaMTH1 Methyltransferase
著者Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H.
登録日2014-07-15
公開日2015-05-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
1UVA
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BU of 1uva by Molmil
Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza sativa
分子名称: MYRISTIC ACID, NONSPECIFIC LIPID TRANSFER PROTEIN 1
著者Cheng, H.-C, Cheng, P.-T, Peng, P, Lyu, P.-C, Sun, Y.-J.
登録日2004-01-19
公開日2004-10-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza Sativa
Protein Sci., 13, 2004
4QX4
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BU of 4qx4 by Molmil
Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A
分子名称: (3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Rechlin, C, Heine, A, Klebe, G.
登録日2014-07-18
公開日2015-04-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.259 Å)
主引用文献Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold.
J.Med.Chem., 58, 2015
1UXE
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BU of 1uxe by Molmil
ADENOVIRUS AD37 FIBRE HEAD
分子名称: ACETATE ION, FIBER PROTEIN, ZINC ION
著者Burmeister, W.P, Guilligay, D, Cusack, S, Wadell, G, Arnberg, N.
登録日2004-02-24
公開日2004-07-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Species D Adenovirus Fiber Knobs and Their Sialic Acid Binding Sites
J.Virol., 78, 2004

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