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4RBO
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BU of 4rbo by Molmil
Crystal structure of a Nanog homeobox (NANOG) from Homo sapiens at 3.30 A resolution
分子名称: 5'-D(*CP*TP*TP*GP*AP*AP*TP*GP*GP*GP*CP*C)-3', 5'-D(*GP*GP*CP*CP*CP*AP*TP*TP*CP*AP*AP*G)-3', Putative homeobox protein NANOGP8
著者Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
登録日2014-09-12
公開日2014-10-01
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure-based discovery of NANOG variant with enhanced properties to promote self-renewal and reprogramming of pluripotent stem cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
2HCM
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BU of 2hcm by Molmil
Crystal structure of mouse putative dual specificity phosphatase complexed with zinc tungstate, New York Structural Genomics Consortium
分子名称: Dual specificity protein phosphatase, GLYCEROL, SODIUM ION, ...
著者Patskovsky, Y, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-06-17
公開日2006-08-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
4YET
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BU of 4yet by Molmil
X-ray crystal structure of superoxide dismutase from Babesia bovis solved by Sulfur SAD
分子名称: FE (III) ION, Superoxide dismutase
著者Fairman, J.W, Clifton, M.C, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-02-24
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures.
Acta Crystallogr.,Sect.F, 71, 2015
6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Joy, J.
登録日2018-10-10
公開日2019-08-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
2I0O
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BU of 2i0o by Molmil
Crystal structure of Anopheles gambiae Ser/Thr phosphatase complexed with Zn2+
分子名称: Ser/Thr phosphatase, ZINC ION
著者Jin, X, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-08-10
公開日2006-10-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
4TY7
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BU of 4ty7 by Molmil
Factor XIa in complex with the inhibitor (2S)-6-amino-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-2-ethylhexanamide
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Wei, A.
登録日2014-07-08
公開日2014-12-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Phenylimidazoles as Potent and Selective Inhibitors of Coagulation Factor XIa with in Vivo Antithrombotic Activity.
J.Med.Chem., 57, 2014
4TY6
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BU of 4ty6 by Molmil
Factor XIa in complex with the inhibitor 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide
分子名称: 1,2-ETHANEDIOL, 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide, CYS-THR-THR-LYS-ILE-LYS-PRO, ...
著者Wei, A.
登録日2014-07-07
公開日2014-12-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Phenylimidazoles as Potent and Selective Inhibitors of Coagulation Factor XIa with in Vivo Antithrombotic Activity.
J.Med.Chem., 57, 2014
4Z1V
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BU of 4z1v by Molmil
Structure of Factor Inhibiting HIF (FIH) in complex with Fe, NO, and NOG
分子名称: DI(HYDROXYETHYL)ETHER, FE (III) ION, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Taabazuing, C.Y, Garman, S.C, Knapp, M.J.
登録日2015-03-27
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Substrate Promotes Productive Gas Binding in the alpha-Ketoglutarate-Dependent Oxygenase FIH.
Biochemistry, 55, 2016
3N7C
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BU of 3n7c by Molmil
Crystal structure of the RAN binding domain from the nuclear pore complex component NUP2 from Ashbya gossypii
分子名称: ABR034Wp
著者Sampathkumar, P, Manglicmot, D, Gilmore, J, Bain, K, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-05-26
公開日2010-06-16
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of the RAN binding domain from the nuclear pore complex component NUP2 from Ashbya gossypii
To be Published
4Z2W
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BU of 4z2w by Molmil
Factor Inhibiting HIF in Complex with Fe, and Alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
著者Taabazuing, C.Y, Garman, S.C, Knapp, M.J.
登録日2015-03-30
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate Promotes Productive Gas Binding in the alpha-Ketoglutarate-Dependent Oxygenase FIH.
Biochemistry, 55, 2016
3PVE
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BU of 3pve by Molmil
Crystal structure of the G2 domain of Agrin from Mus Musculus
分子名称: Agrin, Agrin protein
著者Sampathkumar, P, Do, J, Bain, K, Freeman, J, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-12-07
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the G2 domain of Agrin from Mus Musculus
To be Published
1QXZ
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BU of 1qxz by Molmil
Crystal structure of S. aureus methionine aminopeptidase in complex with a ketoheterocycle inhibitor 119
分子名称: (2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL, COBALT (II) ION, methionyl aminopeptidase
著者Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
登録日2003-09-09
公開日2004-03-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structures of staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.
J.Med.Chem., 47, 2004
2L6S
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BU of 2l6s by Molmil
Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide
分子名称: VIR-576
著者Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Canales-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Standker, L, Kirchhoff, F, Schmidt, R.E.
登録日2010-11-24
公開日2011-01-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
2HV9
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BU of 2hv9 by Molmil
Encephalitozoon cuniculi mRNA Cap (Guanine-N7) Methyltransferase in complex with sinefungin
分子名称: SINEFUNGIN, mRNA cap guanine-N7 methyltransferase
著者Lima, C.D.
登録日2006-07-27
公開日2006-09-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mutational Analysis of Encephalitozoon cuniculi mRNA Cap (Guanine-N7) Methyltransferase, Structure of the Enzyme Bound to Sinefungin, and Evidence That Cap Methyltransferase Is the Target of Sinefungin's Antifungal Activity
J.Biol.Chem., 281, 2006
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
分子名称: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
著者Adler, M, Whitlow, M.
登録日2007-03-09
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献

1QXY
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BU of 1qxy by Molmil
Crystal structure of S. aureus methionine aminopeptidase in complex with a ketoheterocycle 618
分子名称: (2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL, ACETATE ION, COBALT (II) ION, ...
著者Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
登録日2003-09-09
公開日2004-03-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Crystal structures of staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.
J.Med.Chem., 47, 2004
3AMV
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BU of 3amv by Molmil
ALLOSTERIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG
分子名称: 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, GLYCEROL, PROTEIN (GLYCOGEN PHOSPHORYLASE), ...
著者Oikonomakos, N.G, Tsitsanou, K.E, Zographos, S.E, Skamnaki, V.T.
登録日1999-02-18
公開日1999-02-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric inhibition of glycogen phosphorylase a by the potential antidiabetic drug 3-isopropyl 4-(2-chlorophenyl)-1,4-dihydro-1-ethyl-2-methyl-pyridine-3,5,6-tricarbo xylate.
Protein Sci., 8, 1999
2L6T
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BU of 2l6t by Molmil
Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide
分子名称: VIR-576
著者Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E.
登録日2010-11-24
公開日2011-01-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
3CUK
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BU of 3cuk by Molmil
Crystal structure of human D-amino acid oxidase: bound to an inhibitor
分子名称: 4H-furo[3,2-b]pyrrole-5-carboxylic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Prasad, S, Munshi, S.
登録日2008-04-16
公開日2008-07-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The discovery of fused pyrrole carboxylic acids as novel, potent D-amino acid oxidase (DAO) inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4X6P
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BU of 4x6p by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
分子名称: (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ...
著者Sheriff, S.
登録日2014-12-08
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
1WVU
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BU of 1wvu by Molmil
Crystal structure of chitinase C from Streptomyces griseus HUT6037
分子名称: CHLORIDE ION, chitinase C
著者Kezuka, Y, Watanabe, T, Nonaka, T.
登録日2004-12-27
公開日2005-12-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Studies of a Two-domain Chitinase from Streptomyces griseus HUT6037
J.Mol.Biol., 358, 2006
6XDF
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BU of 6xdf by Molmil
Crystal structure of IRE1a in complex with G-4100
分子名称: 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Steinbacher, S, Wang, W.
登録日2020-06-10
公開日2021-04-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
3NO8
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Crystal structure of the PHR domain from human BTBD2 Protein
分子名称: BTB/POZ domain-containing protein 2, GLYCEROL, SULFATE ION
著者Sampathkumar, P, Miller, S, Rutter, M, Bain, K, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-06-24
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the PHR domain from human BTBD2 Protein
To be Published
7B17
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BU of 7b17 by Molmil
SARS-CoV-spike RBD bound to two neutralising nanobodies.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS-CoV-2 neutralizing biparatopic nanobody VE,nanobody E from Lama glama,SARS-CoV-2 neutralizing biparatopic nanobody VE,nanobody E from Lama glama, Spike protein S1
著者Hallberg, B.M, Das, H.
登録日2020-11-23
公開日2021-02-10
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.01 Å)
主引用文献Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape
Science, 371, 2021
6SS4
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BU of 6ss4 by Molmil
Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021181
分子名称: Arginase-2, mitochondrial, Fab C0021181 heavy chain (IgG1), ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2019-09-06
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12

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