1NIP
 
 | | CRYSTALLOGRAPHIC STRUCTURE OF THE NITROGENASE IRON PROTEIN FROM AZOTOBACTER VINELANDII | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Komiya, H, Georgiadis, M.M, Chakrabarti, P, Woo, D, Kornuc, J.J, Rees, D.C. | | Deposit date: | 1992-09-29 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystallographic structure of the nitrogenase iron protein from Azotobacter vinelandii.
Science, 257, 1992
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5G0F
 | | Crystal structure of Danio rerio HDAC6 ZnF-UBP domain | | Descriptor: | GLYCINE, HDAC6, NICKEL (II) ION, ... | | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | | Deposit date: | 2016-03-18 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
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3ZSQ
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | 5-[[[2-[[(1S)-1-(4-METHOXYPHENYL)BUTYL]CARBAMOYL]PHENYL]METHYL-PROP-2-ENYL-AMINO]METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, GLYCEROL, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-06-30 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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3ZT3
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | 1,2-ETHANEDIOL, 5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-07-01 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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3ZT0
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | (4-CARBOXY-1,3-BENZODIOXOL-5-YL)-N-{2-[(4-METHOXYBENZYL)CARBAMOYL]BENZYL}-N-METHYLMETHANAMINIUM, INTEGRASE, SULFATE ION | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-07-01 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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5G0H
 | | Crystal structure of Danio rerio HDAC6 CD2 in complex with (S)- trichostatin A | | Descriptor: | 1,2-ETHANEDIOL, HDAC6, POTASSIUM ION, ... | | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | | Deposit date: | 2016-03-18 | | Release date: | 2016-07-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
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2BKJ
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1FLG
 | | CRYSTAL STRUCTURE OF THE QUINOPROTEIN ETHANOL DEHYDROGENASE FROM PSEUDOMONAS AERUGINOSA | | Descriptor: | CALCIUM ION, PROTEIN (QUINOPROTEIN ETHANOL DEHYDROGENASE), PYRROLOQUINOLINE QUINONE | | Authors: | Keitel, T, Diehl, A, Knaute, T, Stezowski, J.J, Hohne, W, Gorisch, H. | | Deposit date: | 2000-08-14 | | Release date: | 2000-08-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray structure of the quinoprotein ethanol dehydrogenase from Pseudomonas aeruginosa: basis of substrate specificity.
J.Mol.Biol., 297, 2000
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5KF7
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1N6Q
 | | HIV-1 Reverse Transcriptase Crosslinked to pre-translocation AZTMP-terminated DNA (complex N) | | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3', 5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, I, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | | Deposit date: | 2002-11-11 | | Release date: | 2003-01-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of HIV-1 Reverse Transcriptase with Pre- and Post-translocation AZTMP-terminated DNA
Embo J., 21, 2002
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5KOX
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1M10
 | | Crystal structure of the complex of Glycoprotein Ib alpha and the von Willebrand Factor A1 Domain | | Descriptor: | Glycoprotein Ib alpha, von Willebrand Factor | | Authors: | Huizinga, E.G, Tsuji, S, Romijn, R.A.P, Schiphorst, M.E, de Groot, P.G, Sixma, J.J, Gros, P. | | Deposit date: | 2002-06-16 | | Release date: | 2002-08-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of glycoprotein Ibalpha and its complex with von Willebrand factor A1 domain.
Science, 297, 2002
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1M1R
 | | Reduced p222 crystal structure of the tetraheme cytochrome c of Shewanella oneidensis MR1 | | Descriptor: | HEME C, SMALL tetraheme cytochrome c, SULFATE ION | | Authors: | Leys, D, Meyer, T.E, Tsapin, A.I, Nealson, K.H, Cusanovich, M.A, Van Beeumen, J.J. | | Deposit date: | 2002-06-20 | | Release date: | 2002-08-14 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Crystal structures at atomic resolution reveal the novel concept of 'electron-harvesting' as a role for the small tetraheme cytochrome c
J.Biol.Chem., 277, 2002
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2RD2
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5Z2H
 | | Structure of Dictyostelium discoideum mitochondrial calcium uniporter N-terminal domain(DdMCU-NTD) | | Descriptor: | Dictyostelium discoideum mitochondrial calcium uniporter | | Authors: | Yuan, Y, Wen, M, Chou, J.J, Li, D, Bo, O. | | Deposit date: | 2018-01-02 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.674 Å) | | Cite: | Structural Characterization of the N-Terminal Domain of theDictyostelium discoideumMitochondrial Calcium Uniporter.
Acs Omega, 5, 2020
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5J99
 | | Ambient temperature transition state structure of arginine kinase - crystal 8/Form I | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ARGININE, Arginine kinase, ... | | Authors: | Godsey, M, Davulcu, O, Nix, J, Skalicky, J.J, Bruschweiler, R, Chapman, M.S. | | Deposit date: | 2016-04-08 | | Release date: | 2016-08-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Sampling of Conformational Dynamics in Ambient-Temperature Crystal Structures of Arginine Kinase.
Structure, 24, 2016
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2BF1
 | | Structure of an unliganded and fully-glycosylated SIV gp120 envelope glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | | Authors: | Chen, B, Vogan, E.M, Gong, H, Skehel, J.J, Wiley, D.C, Harrison, S.C. | | Deposit date: | 2004-12-02 | | Release date: | 2005-02-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structure of an Unliganded Simian Immunodeficiency Virus Gp120 Core
Nature, 433, 2005
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5JFT
 | | Zebra Fish Caspase-3 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ... | | Authors: | Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C. | | Deposit date: | 2016-04-19 | | Release date: | 2016-10-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish.
Protein Sci., 25, 2016
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1HQY
 | | Nucleotide-Dependent Conformational Changes in a Protease-Associated ATPase HslU | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK LOCUS HSLU, HEAT SHOCK LOCUS HSLV | | Authors: | Wang, J, Song, J.J, Seong, I.S, Franklin, M.C, Kamtekar, S, Eom, S.H, Chung, C.H. | | Deposit date: | 2000-12-20 | | Release date: | 2001-11-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Nucleotide-dependent conformational changes in a protease-associated ATPase HsIU.
Structure, 9, 2001
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3ZSX
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | 1,2-ETHANEDIOL, 5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate, ACETATE ION, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-07-01 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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1EO8
 | | INFLUENZA VIRUS HEMAGGLUTININ COMPLEXED WITH A NEUTRALIZING ANTIBODY | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY (HEAVY CHAIN), ... | | Authors: | Fleury, D, Gigant, B, Daniels, R.S, Skehel, J.J, Knossow, M, Bizebard, T. | | Deposit date: | 2000-03-22 | | Release date: | 2000-04-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural evidence for recognition of a single epitope by two distinct antibodies.
Proteins, 40, 2000
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5I2Q
 | | Structure of EF-hand containing protein | | Descriptor: | CALCIUM ION, EF-hand domain-containing protein D2 | | Authors: | Park, K.R, Kwon, M.S, An, J.Y, Lee, J.G, Youn, H.S, Lee, Y, Kang, J.Y, Kim, T.G, Lim, J.J, Park, J.S, Lee, S.H, Song, W.K, Cheong, H, Jun, C, Eom, S.H. | | Deposit date: | 2016-02-09 | | Release date: | 2016-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.935 Å) | | Cite: | Structural implications of Ca(2+)-dependent actin-bundling function of human EFhd2/Swiprosin-1.
Sci Rep, 6, 2016
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5IAB
 | | Caspase 3 V266D | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5I2O
 | | Structure of EF-hand containing protein | | Descriptor: | CALCIUM ION, EF-hand domain-containing protein D2 | | Authors: | Park, K.R, Kwon, M.S, An, J.Y, Lee, J.G, Youn, H.S, Lee, Y, Kang, J.Y, Kim, T.G, Lim, J.J, Park, J.S, Lee, S.H, Song, W.K, Cheong, H, Jun, C, Eom, S.H. | | Deposit date: | 2016-02-09 | | Release date: | 2016-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Structural implications of Ca(2+)-dependent actin-bundling function of human EFhd2/Swiprosin-1.
Sci Rep, 6, 2016
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5IAJ
 | | Caspase 3 V266L | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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