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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
Descriptor: 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
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-09-12
Release date:2014-10-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite: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
Descriptor: Dual specificity protein phosphatase, GLYCEROL, SODIUM ION, ...
Authors:Patskovsky, Y, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-06-17
Release date:2006-08-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: FE (III) ION, Superoxide dismutase
Authors:Fairman, J.W, Clifton, M.C, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-02-24
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Joy, J.
Deposit date:2018-10-10
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite: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+
Descriptor: Ser/Thr phosphatase, ZINC ION
Authors:Jin, X, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-08-10
Release date:2006-10-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2014-07-08
Release date:2014-12-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite: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
Descriptor: 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, ...
Authors:Wei, A.
Deposit date:2014-07-07
Release date:2014-12-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, FE (III) ION, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Taabazuing, C.Y, Garman, S.C, Knapp, M.J.
Deposit date:2015-03-27
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: ABR034Wp
Authors: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)
Deposit date:2010-05-26
Release date:2010-06-16
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite: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
Descriptor: 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Taabazuing, C.Y, Garman, S.C, Knapp, M.J.
Deposit date:2015-03-30
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Agrin, Agrin protein
Authors: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)
Deposit date:2010-12-07
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: (2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL, COBALT (II) ION, methionyl aminopeptidase
Authors:Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
Deposit date:2003-09-09
Release date:2004-03-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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
Descriptor: VIR-576
Authors: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.
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: SINEFUNGIN, mRNA cap guanine-N7 methyltransferase
Authors:Lima, C.D.
Deposit date:2006-07-27
Release date:2006-09-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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}
Descriptor: 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
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:

1QXY
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BU of 1qxy by Molmil
Crystal structure of S. aureus methionine aminopeptidase in complex with a ketoheterocycle 618
Descriptor: (2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL, ACETATE ION, COBALT (II) ION, ...
Authors:Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
Deposit date:2003-09-09
Release date:2004-03-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.04 Å)
Cite: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
Descriptor: 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, GLYCEROL, PROTEIN (GLYCOGEN PHOSPHORYLASE), ...
Authors:Oikonomakos, N.G, Tsitsanou, K.E, Zographos, S.E, Skamnaki, V.T.
Deposit date:1999-02-18
Release date:1999-02-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: VIR-576
Authors: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.
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: 4H-furo[3,2-b]pyrrole-5-carboxylic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Prasad, S, Munshi, S.
Deposit date:2008-04-16
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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
Descriptor: (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, ...
Authors:Sheriff, S.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
Descriptor: CHLORIDE ION, chitinase C
Authors:Kezuka, Y, Watanabe, T, Nonaka, T.
Deposit date:2004-12-27
Release date:2005-12-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: 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
Authors:Steinbacher, S, Wang, W.
Deposit date:2020-06-10
Release date:2021-04-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
3NO8
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BU of 3no8 by Molmil
Crystal structure of the PHR domain from human BTBD2 Protein
Descriptor: BTB/POZ domain-containing protein 2, GLYCEROL, SULFATE ION
Authors: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)
Deposit date:2010-06-24
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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.
Descriptor: 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
Authors:Hallberg, B.M, Das, H.
Deposit date:2020-11-23
Release date:2021-02-10
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.01 Å)
Cite: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
Descriptor: Arginase-2, mitochondrial, Fab C0021181 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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

222624

数据于2024-07-17公开中

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