1ARM
 
 | | CARBOXYPEPTIDASE A WITH ZN REPLACED BY HG | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, HG-CARBOXYPEPTIDASE A=ALPHA= (COX), ... | | Authors: | Greenblatt, H.M, Feinberg, H, Tucker, P.A, Shoham, G. | | Deposit date: | 1994-11-22 | | Release date: | 1996-08-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Carboxypeptidase A: native, zinc-removed and mercury-replaced forms.
Acta Crystallogr.,Sect.D, 54, 1998
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1AVS
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4QEW
 | | Crystal structure of BRD2(BD2) mutant with ligand ET bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]BUTANOATE) | | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | Deposit date: | 2014-05-19 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
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3GBM
 | | Crystal Structure of Fab CR6261 in Complex with a H5N1 influenza virus hemagglutinin. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ekiert, D.C, Elsliger, M.A, Wilson, I.A. | | Deposit date: | 2009-02-20 | | Release date: | 2009-03-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Antibody recognition of a highly conserved influenza virus epitope.
Science, 324, 2009
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2LPI
 | | NMR structure of a monomeric mutant (A72R) of major ampullate spidroin 1 N-terminal domain | | Descriptor: | Major ampullate spidroin 1 | | Authors: | Jaudzems, K, Nordling, K, Landreh, M, Rising, A, Askarieh, G, Knight, S.D, Johansson, J. | | Deposit date: | 2012-02-14 | | Release date: | 2012-06-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | pH-Dependent Dimerization of Spider Silk N-Terminal Domain Requires Relocation of a Wedged Tryptophan Side Chain.
J.Mol.Biol., 422, 2012
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3OYF
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI L-870,810 | | Descriptor: | 5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-23 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2W1Y
 | | THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 1.540 A wavelength 180 images data | | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | | Authors: | Cianci, M, Helliwell, J.R, Suzuki, A. | | Deposit date: | 2008-10-21 | | Release date: | 2008-11-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64, 2008
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1S36
 | | Crystal structure of a Ca2+-discharged photoprotein: Implications for the mechanisms of the calcium trigger and the bioluminescence | | Descriptor: | CHLORIDE ION, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, ... | | Authors: | Deng, L, Markova, S.V, Vysotski, E.S, Liu, Z.-J, Lee, J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-01-12 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of a Ca2+-discharged photoprotein: implications for mechanisms of the calcium trigger and bioluminescence
J.Biol.Chem., 279, 2004
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2YEO
 | | A39L mutation of scorpion toxin lqh-alpha-it | | Descriptor: | 1,2-ETHANEDIOL, ALPHA-INSECT TOXIN LQHAIT, CHLORIDE ION, ... | | Authors: | Frolow, F, Kahn, R, Gurevitz, M. | | Deposit date: | 2011-03-28 | | Release date: | 2011-04-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Crystal Structures of Scorpion Alpha-Toxinsmutants Reveal Conformational Constraints that Dictate Preference for Mammalian Brain Voltage-Gated Na- Channels
To be Published
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3RUU
 | | FXR with SRC1 and GSK237 | | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | Authors: | Williams, S.P, Madauss, K.P. | | Deposit date: | 2011-05-05 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
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2W1X
 | | The interdependence of wavelength, redundancy and dose in sulfur SAD experiments: 1.284 A wavelength 360 images data | | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | | Authors: | Cianci, M, Helliwell, J.R, Suzuki, A. | | Deposit date: | 2008-10-21 | | Release date: | 2008-11-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64, 2008
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4L8L
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1H2L
 | | Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide | | Descriptor: | 2-OXOGLUTARIC ACID, FACTOR INHIBITING HIF1, FE (II) ION, ... | | Authors: | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | | Deposit date: | 2002-08-12 | | Release date: | 2002-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
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3QQE
 | | Crystal structure of HA2 R106H mutant of H2 hemagglutinin, re-neutralized form | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, R, Wilson, I.A. | | Deposit date: | 2011-02-15 | | Release date: | 2011-03-09 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Characterization of an Early Fusion Intermediate of Influenza Virus Hemagglutinin.
J.Virol., 85, 2011
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3ARG
 | | Ternary crystal structure of the mouse NKT TCR-CD1d-alpha-glucosylceramide(C20:2) | | Descriptor: | (11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wun, K.S, Rossjohn, J. | | Deposit date: | 2010-11-27 | | Release date: | 2011-03-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A molecular basis for the exquisite CD1d-restricted antigen specificity and functional responses of natural killer T cells
Immunity, 34, 2011
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3K8M
 | | Crystal structure of SusG with acarbose | | Descriptor: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Koropatkin, N.M, Smith, T.J. | | Deposit date: | 2009-10-14 | | Release date: | 2010-03-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | SusG: A Unique Cell-Membrane-Associated alpha-Amylase from a Prominent Human Gut Symbiont Targets Complex Starch Molecules.
Structure, 18, 2010
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3ARD
 | | Ternary crystal structure of the mouse NKT TCR-CD1d-3'deoxy-alpha-galactosylceramide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ... | | Authors: | Wun, K.S, Rossjohn, J. | | Deposit date: | 2010-11-27 | | Release date: | 2011-03-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | A molecular basis for the exquisite CD1d-restricted antigen specificity and functional responses of natural killer T cells
Immunity, 34, 2011
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4L3P
 | | Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1 | | Descriptor: | 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M. | | Deposit date: | 2013-06-06 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
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7FQL
 | | Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ... | | Authors: | Ehler, A, Benz, J, Bartels, B, Rudolph, M.G. | | Deposit date: | 2022-10-05 | | Release date: | 2023-10-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal Structure of a human Legumain complex
To be published
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3FT2
 | | Crystal Structure of a citrulline peptide variant of the minor histocompatibility peptide HA-1 in complex with HLA-A2 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Reiser, J.-B, Gras, S, Chouquet, A, Le Gorrec, M, Spierings, E, Goulmy, E, Housset, D. | | Deposit date: | 2009-01-12 | | Release date: | 2009-04-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Steric hindrance and fast dissociation explain the lack of immunogenicity of the minor histocompatibility HA-1Arg Null allele.
J.Immunol., 182, 2009
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2IC7
 | | Crystal Structure of Maltose Transacetylase from Geobacillus kaustophilus | | Descriptor: | Maltose transacetylase | | Authors: | Liu, Z.J, Li, Y, Chen, L, Zhu, J, Rose, J.P, Ebihara, A, Yokoyama, S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI), RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-09-12 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal Structure of Maltose Transacetylase From Geobacillus kaustophilus at 1.78 Angstrom Resolution
To be Published
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3ARB
 | | Ternary crystal structure of the NKT TCR-CD1d-alpha-galactosylceramide analogue-OCH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | Authors: | Wun, K.S, Rossjohn, J. | | Deposit date: | 2010-11-26 | | Release date: | 2011-03-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A molecular basis for the exquisite CD1d-restricted antigen specificity and functional responses of natural killer T cells
Immunity, 34, 2011
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1RBM
 | | Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid | | Descriptor: | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID, PHOSPHATE ION, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE | | Authors: | Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2003-11-03 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human GAR Tfase complex structure
To be Published
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3QQB
 | | Crystal structure of HA2 R106H mutant of H2 hemagglutinin, neutral pH form | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, R, Wilson, I.A. | | Deposit date: | 2011-02-15 | | Release date: | 2011-03-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Characterization of an Early Fusion Intermediate of Influenza Virus Hemagglutinin.
J.Virol., 85, 2011
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2J62
 | | Structure of a bacterial O-glcnacase in complex with glcnacstatin | | Descriptor: | CHLORIDE ION, N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE, O-GlcNAcase NagJ | | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Shepherd, S.M, Shpiro, N.A, van Aalten, D.M.F. | | Deposit date: | 2006-09-22 | | Release date: | 2007-02-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels.
J. Am. Chem. Soc., 128, 2006
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