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6CIZ
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Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 nitrile
分子名称: 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Fehl, C.
登録日2018-02-25
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
3NM3
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BU of 3nm3 by Molmil
The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes
分子名称: MAGNESIUM ION, PYROPHOSPHATE 2-, THIAMIN PHOSPHATE, ...
著者Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E.
登録日2010-06-21
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes .
Biochemistry, 49, 2010
5KRO
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Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Methyl(phenyl)amino-substituted Estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(methyl(phenyl)amino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
分子名称: (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
6JX0
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BU of 6jx0 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by co-crystallization
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Yan, X.E, Zhu, S.J.
登録日2019-04-21
公開日2020-04-22
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
2WZJ
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BU of 2wzj by Molmil
Catalytic and UBA domain of kinase MARK2/(Par-1) K82R, T208E double mutant
分子名称: SERINE/THREONINE-PROTEIN KINASE MARK2
著者Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
登録日2009-11-30
公開日2009-12-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.786 Å)
主引用文献Structure and Function of Polarity-Inducing Kinase Family Mark/Par-1 within the Branch of Ampk/Snf1-Related Kinases.
Faseb J., 24, 2010
5KSP
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BU of 5ksp by Molmil
hMiro1 C-domain GDP Complex C2221 Crystal Form
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-08
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
4ABT
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BU of 4abt by Molmil
Crystal structure of Type IIF restriction endonuclease NgoMIV with cognate uncleaved DNA
分子名称: 5'-D(*TP*GP*CP*GP*CP*CP*GP*GP*CP*GP*CP)-3', CALCIUM ION, TYPE-2 RESTRICTION ENZYME NGOMIV
著者Manakova, E.N, Grazulis, S, Zaremba, M, Tamulaitiene, G, Golovenko, D, Siksnys, V.
登録日2011-12-11
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure of Type Iif Restriction Endonuclease Ngomiv with Cognate Uncleaved DNA
To be Published
6CLV
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BU of 6clv by Molmil
Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure
分子名称: 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase
著者Gajewski, S, Griffith, E.C, Wu, Y, White, S.W.
登録日2018-03-02
公開日2018-08-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase.
Front Microbiol, 9, 2018
7JVR
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BU of 7jvr by Molmil
Cryo-EM structure of Bromocriptine-bound dopamine receptor 2 in complex with Gi protein
分子名称: Antibody fragment ScFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
登録日2020-08-22
公開日2021-02-24
最終更新日2021-03-31
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
5GM8
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BU of 5gm8 by Molmil
Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa
分子名称: SINEFUNGIN, tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ
著者Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M.
登録日2016-07-13
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa.
Nucleic Acids Res., 44, 2016
5GMC
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BU of 5gmc by Molmil
Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa
分子名称: tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ
著者Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M.
登録日2016-07-13
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa.
Nucleic Acids Res., 44, 2016
5KZ5
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BU of 5kz5 by Molmil
Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Complex Formed by the Iron Donor, the Sulfur Donor, and the Scaffold
分子名称: Cysteine desulfurase, mitochondrial, Frataxin, ...
著者Gakh, O, Ranatunga, W, Smith, D.Y, Ahlgren, E.C, Al-Karadaghi, S, Thompson, J.R, Isaya, G.
登録日2016-07-22
公開日2016-08-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (14.3 Å)
主引用文献Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery.
J.Biol.Chem., 291, 2016
6CSU
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BU of 6csu by Molmil
The structure of the Cep63-Cep152 heterotetrameric complex
分子名称: Centrosomal protein of 152 kDa, Centrosomal protein of 63 kDa
著者Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S.
登録日2018-03-21
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular architecture of a cylindrical self-assembly at human centrosomes.
Nat Commun, 10, 2019
4NPJ
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BU of 4npj by Molmil
Extended-Synaptotagmin 2, C2A- and C2B-domains
分子名称: ACETATE ION, CHLORIDE ION, Extended synaptotagmin-2, ...
著者Tomchick, D.R, Rizo, J, Xu, J.
登録日2013-11-21
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure and ca(2+)-binding properties of the tandem c2 domains of e-syt2.
Structure, 22, 2014
5Q00
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BU of 5q00 by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 2-[3-[(5-bromo-1,3-thiazol-2-yl)carbamoylsulfamoyl]-1-methylindol-7-yl]oxyacetamide
分子名称: 2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1H-indol-7-yl)oxy]acetamide, Fructose-1,6-bisphosphatase 1
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 2-[3-[(5-bromo-1,3-thiazol-2-yl)carbamoylsulfamoyl]-1-methylindol-7-yl]oxyacetamide
To be published
6D30
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BU of 6d30 by Molmil
Structure of human Usb1 with uridine-uridine, inactive H208Q mutant
分子名称: CHLORIDE ION, RNA (5'-R(UP*U)-3'), U6 snRNA phosphodiesterase
著者Nomura, Y, Montemayor, E.J, Butcher, S.E.
登録日2018-04-14
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structural and mechanistic basis for preferential deadenylation of U6 snRNA by Usb1.
Nucleic Acids Res., 46, 2018
1ZPG
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BU of 1zpg by Molmil
Arginase I covalently modified with propylamine at Q19C
分子名称: Arginase 1, MANGANESE (II) ION
著者Colleluori, D.M, Reczkowski, R.S, Emig, F.A, Cama, E, Cox, J.D, Scolnick, L.R, Compher, K, Jude, K, Han, S, Viola, R.E, Christianson, D.W, Ash, D.E.
登録日2005-05-16
公開日2005-12-06
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the role of the hyper-reactive histidine residue of arginase.
Arch.Biochem.Biophys., 444, 2005
2F1D
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BU of 2f1d by Molmil
X-Ray Structure of imidazoleglycerol-phosphate dehydratase
分子名称: Imidazoleglycerol-phosphate dehydratase 1, MANGANESE (II) ION, SULFATE ION
著者Rice, D.W, Glynn, S.E, Baker, P.J, Sedelnikova, S.E, Davies, C.L, Eadsforth, T.C.
登録日2005-11-14
公開日2006-01-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and mechanism of imidazoleglycerol-phosphate dehydratase.
Structure, 13, 2005
2QJJ
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Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
著者Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Vick, J.E, Gerlt, J.A, Almo, S.C.
登録日2007-07-07
公開日2007-10-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: D-Mannonate dehydratase from Novosphingobium aromaticivorans.
Biochemistry, 46, 2007
6D1Z
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BU of 6d1z by Molmil
Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one Inhibitor
分子名称: 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide, GLYCEROL, ...
著者Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
登録日2018-04-12
公開日2018-05-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
2FJC
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Crystal structure of antigen TpF1 from Treponema pallidum
分子名称: Antigen TpF1, FE (III) ION
著者Thumiger, A, Polenghi, A, Papinutto, E, Battistutta, R, Montecucco, C, Zanotti, G.
登録日2006-01-02
公開日2006-01-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of antigen TpF1 from Treponema pallidum.
Proteins, 62, 2006
1DVR
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BU of 1dvr by Molmil
STRUCTURE OF A MUTANT ADENYLATE KINASE LIGATED WITH AN ATP-ANALOGUE SHOWING DOMAIN CLOSURE OVER ATP
分子名称: ADENYLATE KINASE, PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER
著者Schlauderer, G.J, Schulz, G.E.
登録日1995-12-14
公開日1996-04-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure of a mutant adenylate kinase ligated with an ATP-analogue showing domain closure over ATP.
J.Mol.Biol., 256, 1996
1DIL
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SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH APANA AND EPANA INHIBITORS
分子名称: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, POTASSIUM ION, ...
著者Garman, E.F, Crennell, S.C, Vimr, E.R, Laver, W.G, Taylor, G.L.
登録日1996-04-23
公開日1996-12-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structures of Salmonella typhimurium LT2 neuraminidase and its complexes with three inhibitors at high resolution.
J.Mol.Biol., 259, 1996
5C23
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Parkin (S65DUblR0RBR)
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
著者Kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H.
登録日2015-06-15
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis.
Embo J., 34, 2015
4F4Q
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Crystal structure of M. smegmatis DprE1 in complex with FAD and covalently bound BTZ043
分子名称: 8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one, DprE1, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Neres, J, Pojer, F, Molteni, E, Chiarelli, L, Riccardi, G, Mattevi, A, Cole, S.T, Binda, C.
登録日2012-05-11
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.619 Å)
主引用文献Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium tuberculosis.
Sci Transl Med, 4, 2012

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