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1E5A
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BU of 1e5a by Molmil
Structure of human transthyretin complexed with bromophenols: a new mode of binding
分子名称: 2,4,6-TRIBROMOPHENOL, TRANSTHYRETIN
著者Ghosh, M, Meerts, I.A.T.M, Cook, A, Bergman, A, Brouwer, A, Johnson, L.N.
登録日2000-07-20
公開日2000-08-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding
Acta Crystallogr.,Sect.D, 56, 2000
1EIK
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BU of 1eik by Molmil
Solution Structure of RNA Polymerase Subunit RPB5 from Methanobacterium Thermoautotrophicum
分子名称: RNA POLYMERASE SUBUNIT RPB5
著者Yee, A, Booth, V, Dharamsi, A, Engel, A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
登録日2000-02-25
公開日2000-06-21
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structure of the RNA polymerase subunit RPB5 from Methanobacterium thermoautotrophicum.
Proc.Natl.Acad.Sci.USA, 97, 2000
4UII
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BU of 4uii by Molmil
Crystal structure of the Azotobacter vinelandii globin-coupled oxygen sensor in the aquo-met form
分子名称: GGDEF DOMAIN PROTEIN, PROTOPORPHYRIN IX CONTAINING FE
著者Germani, F, De Schutter, A, Pesce, A, Berghmans, H, Van Hauwaert, M.-L, Cuypers, B, Bruno, S, Mozzarelli, A, Moens, L, Van Doorslaer, S, Bolognesi, M, Nardini, M, Dewilde, S.
登録日2015-03-30
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.827 Å)
主引用文献Azotobacter Vinelandii Globin-Coupled Oxygen Sensor is a Diguanylate Cyclase with a Biphasic Oxygen Dissociation
To be Published
4UNK
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BU of 4unk by Molmil
Crystal structure of human triosephosphate isomerase (mutant N15D)
分子名称: TRIOSEPHOSPHATE ISOMERASE
著者DeLaMora-DeLaMora, I, Torres-Larios, A, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Gomez-Manzo, S, Lopez-Velazquez, G, Marcial-Quino, J, Torres-Arroyo, A, Garcia-Torres, I, Reyes-Vivas, H, Oria-Hernandez, J.
登録日2014-05-29
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Human Triosephosphate Isomerase (Mutant N15D)
To be Published
4UNL
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BU of 4unl by Molmil
Crystal structure of a single mutant (N71D) of triosephosphate isomerase from human
分子名称: TRIOSEPHOSPHATE ISOMERASE
著者DeLaMora-DeLaMora, I, Torres-Larios, A, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Gomez-Manzo, S, Lopez-Velazquez, G, Marcial-Quino, J, Torres-Arroyo, A, Garcia-Torres, I, Reyes-Vivas, H, Oria-Hernandez, J.
登録日2014-05-29
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of a Single Mutant (N71D) of Triosephosphate Isomerase from Human
To be Published
4UV8
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LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine
分子名称: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4V26
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VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
分子名称: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ...
著者Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C.
登録日2014-10-06
公開日2014-12-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
4VHB
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BU of 4vhb by Molmil
THIOCYANATE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP.
分子名称: PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
著者Bolognesi, M, Boffi, A, Coletta, M, Mozzarelli, A, Pesce, A, Tarricone, C, Ascenzi, P.
登録日1999-03-11
公開日1999-08-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study.
J.Mol.Biol., 291, 1999
4V25
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BU of 4v25 by Molmil
VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
分子名称: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ...
著者Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C.
登録日2014-10-06
公開日2014-12-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
1EJE
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BU of 1eje by Molmil
CRYSTAL STRUCTURE OF AN FMN-BINDING PROTEIN
分子名称: FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, NICKEL (II) ION, ...
著者Christendat, D, Saridakis, V, Bochkarev, A, Arrowsmith, C, Edwards, A.M, Northeast Structural Genomics Consortium (NESG)
登録日2000-03-02
公開日2000-10-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000
1E6E
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BU of 1e6e by Molmil
ADRENODOXIN REDUCTASE/ADRENODOXIN COMPLEX OF MITOCHONDRIAL P450 SYSTEMS
分子名称: ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mueller, J.J, Lapko, A, Bourenkov, G, Ruckpaul, K, Heinemann, U.
登録日2000-08-15
公開日2001-08-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Adrenodoxin Reductase-Adrenodoxin Complex Structure Suggests Electron Transfer Path in Steroid Biosynthesis.
J.Biol.Chem., 276, 2001
4UF0
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BU of 4uf0 by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid.
分子名称: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, FE (II) ION, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Tobias, K, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2014-12-22
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
4UTF
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BU of 4utf by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine and alpha- 1,2-mannobiose
分子名称: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ...
著者Cuskin, F, Lowe, E.C, Temple, M.J, Zhu, Y, Pudlo, N.A, Cameron, E.A, Urs, K, Thompson, A.J, Cartmell, A, Rogowski, A, Tolbert, T, Piens, K, Bracke, D, Vervecken, W, Hakki, Z, Speciale, G, Munoz-Munoz, J.L, Pena, M.J, McLean, R, Suits, M.D, Boraston, A.B, Atherly, T, Ziemer, C.J, Williams, S.J, Davies, G.J, Abbott, D.W, Martens, E.C, Gilbert, H.J.
登録日2014-07-21
公開日2014-12-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
4UT6
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BU of 4ut6 by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 B7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 B7, ...
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4UTA
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Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C8
分子名称: BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8 HEAVY CHAIN, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8 LIGHT CHAIN, ENVELOPE GLYCOPROTEIN E, ...
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4UT9
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Crystal structure of dengue 2 virus envelope glycoprotein dimer in complex with the ScFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C10, ENVELOPE GLYCOPROTEIN E
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4UX6
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The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ...
著者Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
登録日2014-08-19
公開日2014-10-08
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
4UTC
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BU of 4utc by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN E, ...
著者Kikuti, C, Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
1DX9
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BU of 1dx9 by Molmil
W57A Apoflavodoxin from Anabaena
分子名称: Flavodoxin, SULFATE ION
著者Romero, A, Sancho, J.
登録日1999-12-23
公開日2000-04-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Dissecting the Energetics of the Apoflavodoxin-Fmn Complex
J.Biol.Chem., 275, 2000
8VJC
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Cryo-EM structure of short form insulin receptor (IR-A) with three IGF2 bound, asymmetric conformation.
分子名称: Insulin-like growth factor II, Isoform Short of Insulin receptor
著者An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E.
登録日2024-01-06
公開日2024-03-27
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
8UIW
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yjdF riboswitch from R. gauvreauii in complex with chelerythrine bound to Fab BL3-6 S97N
分子名称: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, ...
著者Krochmal, D, Lewicka, A, Piccirilli, J.A.
登録日2023-10-10
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural basis for promiscuity in ligand recognition by yjdF riboswitch.
Cell Discov, 10, 2024
8UTA
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yjdF riboswitch from R. gauvreauii in complex with proflavine bound to Fab BL3-6 S97N
分子名称: Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, MAGNESIUM ION, ...
著者Krochmal, D, Lewicka, A, Piccirilli, J.A.
登録日2023-10-30
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural basis for promiscuity in ligand recognition by yjdF riboswitch.
Cell Discov, 10, 2024
8VJB
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Cryo-EM structure of short form insulin receptor (IR-A) with four IGF2 bound, symmetric conformation.
分子名称: Insulin-like growth factor II, Isoform Short of Insulin receptor
著者An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E.
登録日2024-01-06
公開日2024-03-27
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
9JDW
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CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH ALPHA-AMINO BUTYRIC ACID
分子名称: ALPHA-AMINOBUTYRIC ACID, PROTEIN (L-ARGININE:GLYCINE AMIDINOTRANSFERASE)
著者Fritsche, E, Humm, A, Huber, R.
登録日1998-10-12
公開日1999-02-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study.
J.Biol.Chem., 274, 1999
9GSS
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HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, S-HEXYLGLUTATHIONE, ...
著者Oakley, A, Parker, M.
登録日1997-08-14
公開日1998-09-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997

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