7AIP
 
 | | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Reference Map) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Liko, I, Tehan, B.G, Almeida, F.G, Elkins, J, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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7C6U
 | | Crystal structure of SARS-CoV-2 complexed with GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | Authors: | Fu, L, Feng, Y, Qi, J, Gao, F.G. | | Deposit date: | 2020-05-22 | | Release date: | 2020-09-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
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2YOJ
 | | HCV NS5B polymerase complexed with pyridonylindole compound | | Descriptor: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G. | | Deposit date: | 2012-10-24 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
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3B6H
 | | Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil | | Descriptor: | 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, ... | | Authors: | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | | Deposit date: | 2007-10-29 | | Release date: | 2007-11-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
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3B99
 | | Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) in complex with substrate analog U51605 | | Descriptor: | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid, PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase | | Authors: | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | | Deposit date: | 2007-11-03 | | Release date: | 2007-11-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
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2A4Q
 | | HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound. | | Descriptor: | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ... | | Authors: | Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V. | | Deposit date: | 2005-06-29 | | Release date: | 2006-07-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
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3B98
 | | Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase | | Authors: | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | | Deposit date: | 2007-11-03 | | Release date: | 2007-11-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
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2Q6Z
 | | Uroporphyrinogen Decarboxylase G168R single mutant apo-enzyme | | Descriptor: | Uroporphyrinogen decarboxylase | | Authors: | Phillips, J.D, Whitby, F.G, Stadtmueller, B.M, Edwards, C.Q, Hill, C.P, Kushner, J.P. | | Deposit date: | 2007-06-05 | | Release date: | 2007-06-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two novel uroporphyrinogen decarboxylase (URO-D) mutations causing hepatoerythropoietic porphyria (HEP).
Transl.Res., 149, 2007
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3C3Q
 | | ALIX Bro1-domain:CHMIP4B co-crystal structure | | Descriptor: | Charged multivesicular body protein 4b peptide, GLYCEROL, Programmed cell death 6-interacting protein | | Authors: | McCullough, J.B, Fisher, R.D, Whitby, F.G, Sundquist, W.I, Hill, C.P. | | Deposit date: | 2008-01-28 | | Release date: | 2008-06-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | ALIX-CHMP4 interactions in the human ESCRT pathway.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2Q71
 | | Uroporphyrinogen Decarboxylase G168R single mutant enzyme in complex with coproporphyrinogen-III | | Descriptor: | COPROPORPHYRINOGEN III, Uroporphyrinogen decarboxylase | | Authors: | Phillips, J.D, Whitby, F.G, Stadtmueller, B.M, Edwards, C.Q, Hill, C.P, Kushner, J.P. | | Deposit date: | 2007-06-05 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Two Novel Uropophyrinogen Decarboxylase (URO-D) Mutations Causing Hepatoerythropoietic Porphyria (HEP)
Transl.Res., 149, 2007
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3C3O
 | | ALIX Bro1-domain:CHMIP4A co-crystal structure | | Descriptor: | Charged multivesicular body protein 4a peptide, GLYCEROL, Programmed cell death 6-interacting protein | | Authors: | McCullough, J.B, Fisher, R.D, Whitby, F.G, Sundquist, W.I, Hill, C.P. | | Deposit date: | 2008-01-28 | | Release date: | 2008-06-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | ALIX-CHMP4 interactions in the human ESCRT pathway.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C3R
 | | ALIX BRO1 CHMP4C complex | | Descriptor: | Charged multivesicular body protein 4c peptide, GLYCEROL, Programmed cell death 6-interacting protein | | Authors: | McCullough, J.B, Fisher, R.D, Whitby, F.G, Sundquist, W.I, Hill, C.P. | | Deposit date: | 2008-01-28 | | Release date: | 2008-06-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | ALIX-CHMP4 interactions in the human ESCRT pathway.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2A4R
 | | HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound. | | Descriptor: | NS3 protease/helicase, Ns4a peptide, ZINC ION, ... | | Authors: | Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V. | | Deposit date: | 2005-06-29 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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4BK8
 | | Superoxide reductase (Neelaredoxin) from Ignicoccus hospitalis | | Descriptor: | DESULFOFERRODOXIN, FERROUS IRON-BINDING REGION, FE (III) ION | | Authors: | Romao, C.V, Matias, P.M, Pinho, F.G, Sousa, C.M, Barradas, A.R, Pinto, A.F, Teixeira, M, Bandeiras, T.M. | | Deposit date: | 2013-04-22 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.847 Å) | | Cite: | Structure of a Natural Sor Mutant
To be Published
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1LC3
 | | Crystal Structure of a Biliverdin Reductase Enzyme-Cofactor Complex | | Descriptor: | Biliverdin Reductase A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION | | Authors: | Whitby, F.G, Phillips, J.D, Hill, C.P, McCoubrey, W, Maines, M.D. | | Deposit date: | 2002-04-05 | | Release date: | 2002-07-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of a biliverdin IXalpha reductase enzyme-cofactor complex.
J.Mol.Biol., 319, 2002
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1L2K
 | | Neutron Structure Determination of Sperm Whale Met-Myoglobin at 1.5A Resolution. | | Descriptor: | AMMONIUM CATION WITH D, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ostermann, A, Tanaka, I, Engler, N, Niimura, N, Parak, F.G. | | Deposit date: | 2002-02-21 | | Release date: | 2002-08-21 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.5 Å) | | Cite: | Hydrogen and deuterium in myoglobin as seen by a neutron structure determination at 1.5 A resolution.
Biophys.Chem., 95, 2002
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1JR2
 | | Structure of Uroporphyrinogen III Synthase | | Descriptor: | UROPORPHYRINOGEN-III SYNTHASE | | Authors: | Mathews, M.A, Schubert, H.L, Whitby, F.G, Alexander, K.J, Schadick, K, Bergonia, H.A, Phillips, J.D, Hill, C.P. | | Deposit date: | 2001-08-10 | | Release date: | 2001-11-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structure of human uroporphyrinogen III synthase.
EMBO J., 20, 2001
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1N12
 | | Crystal structure of the PapE (N-terminal-deleted) pilus subunit bound to a peptide corresponding to the N-terminal extension of the PapK pilus subunit (residues 1-11) from uropathogenic E. coli | | Descriptor: | Peptide corresponding to the N-terminal extension of protein PapK, mature Fimbrial protein PapE | | Authors: | Sauer, F.G, Pinkner, J.S, Waksman, G, Hultgren, S.J. | | Deposit date: | 2002-10-16 | | Release date: | 2002-12-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Chaperone priming of pilus subunits facilitates a topological transition that drives fiber formation
Cell(Cambridge,Mass.), 111, 2002
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1N0L
 | | Crystal structure of the PapD chaperone (C-terminally 6x histidine-tagged) bound to the PapE pilus subunit (N-terminal-deleted) from uropathogenic E. coli | | Descriptor: | Chaperone protein PapD, mature Fimbrial protein PapE | | Authors: | Sauer, F.G, Pinkner, J.S, Waksman, G, Hultgren, S.J. | | Deposit date: | 2002-10-14 | | Release date: | 2002-12-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Chaperone priming of pilus subunits facilitates a topological transition that drives fiber formation
Cell(Cambridge,Mass.), 111, 2002
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1LC0
 | | Structure of Biliverdin Reductase and the Enzyme-NADH Complex | | Descriptor: | Biliverdin Reductase A, PHOSPHATE ION | | Authors: | Whitby, F.G, Phillips, J.D, Hill, C.P, McCoubrey, W, Maines, M.D. | | Deposit date: | 2002-04-04 | | Release date: | 2002-07-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of a biliverdin IXalpha reductase enzyme-cofactor complex.
J.Mol.Biol., 319, 2002
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1NDD
 | | STRUCTURE OF NEDD8 | | Descriptor: | CHLORIDE ION, PROTEIN (UBIQUITIN-LIKE PROTEIN NEDD8), SULFATE ION | | Authors: | Whitby, F.G, Xia, G, Pickart, C.M, Hill, C.P. | | Deposit date: | 1998-08-21 | | Release date: | 1999-02-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the human ubiquitin-like protein NEDD8 and interactions with ubiquitin pathway enzymes.
J.Biol.Chem., 273, 1998
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5UD6
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5UI3
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5UXT
 | | Coiled-coil Trimer with Glu:Trp:Lys Triad | | Descriptor: | GLYCEROL, coiled-coil trimer with Glu:Trp:Lys triad | | Authors: | Smith, M.S, Billings, W.M, Whitby, F.G, Miller, M.B, Price, J.L. | | Deposit date: | 2017-02-23 | | Release date: | 2017-08-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Enhancing a long-range salt bridge with intermediate aromatic and nonpolar amino acids.
Org. Biomol. Chem., 15, 2017
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3JSE
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