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PDB: 45788 results

1GI1
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor: 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
4ZN8
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Using molecular dynamics simulations to predict domain swapping of computationally designed protein variants
Descriptor: POTASSIUM ION, computationally modified engrailed homeodomain
Authors:Huang, P.-S, Thomas, L.M, Mayo, S.L.
Deposit date:2015-05-04
Release date:2015-05-27
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
1GJC
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ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS
Descriptor: 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Authors:Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
Deposit date:2001-04-27
Release date:2002-04-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
1FWU
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CRYSTAL STRUCTURE OF THE CYSTEINE-RICH DOMAIN OF MANNOSE RECEPTOR COMPLEXED WITH 3-SO4-LEWIS(X)
Descriptor: CYSTEINE-RICH DOMAIN OF MANNOSE RECEPTOR, alpha-L-fucopyranose-(1-3)-[3-O-sulfo-beta-D-galactopyranose-(1-4)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Authors:Liu, Y, Misulovin, Z, Bjorkman, P.J.
Deposit date:2000-09-24
Release date:2001-01-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular mechanism of sulfated carbohydrate recognition by the cysteine-rich domain of mannose receptor.
J.Mol.Biol., 305, 2001
2PKY
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The Effect of Deuteration on Protein Structure A High Resolution Comparison of Hydrogenous and Perdeuterated Haloalkane Dehalogenase
Descriptor: Haloalkane dehalogenase
Authors:Liu, X, Hanson, L, Langan, P, Viola, R.E.
Deposit date:2007-04-18
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The effect of deuteration on protein structure: a high-resolution comparison of hydrogenous and perdeuterated haloalkane dehalogenase.
Acta Crystallogr.,Sect.D, 63, 2007
2PPC
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Oxidized wild type AfNiR exposed to NO (nitrite bound)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (I) ION, ...
Authors:Tocheva, E.I, Murphy, M.E.P.
Deposit date:2007-04-28
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Stable copper-nitrosyl formation by nitrite reductase in either oxidation state.
Biochemistry, 46, 2007
1UBV
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STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: FARNESYL DIPHOSPHATE SYNTHASE
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
1UCH
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BU of 1uch by Molmil
DEUBIQUITINATING ENZYME UCH-L3 (HUMAN) AT 1.8 ANGSTROM RESOLUTION
Descriptor: UBIQUITIN C-TERMINAL HYDROLASE UCH-L3
Authors:Johnston, S.C, Larsen, C.N, Cook, W.J, Wilkinson, K.D, Hill, C.P.
Deposit date:1997-10-06
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a deubiquitinating enzyme (human UCH-L3) at 1.8 A resolution.
EMBO J., 16, 1997
1UBX
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STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: FARNESYL DIPHOSPHATE, FARNESYL DIPHOSPHATE SYNTHASE, MAGNESIUM ION
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
2PP9
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Nitrate bound wild type oxidized AfNiR
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (I) ION, ...
Authors:Murphy, M.E.P, Tocheva, E.I.
Deposit date:2007-04-28
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conserved active site residues limit inhibition of a copper-containing nitrite reductase by small molecules.
Biochemistry, 47, 2008
1TSP
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BU of 1tsp by Molmil
CRYSTAL STRUCTURE OF P22 TAILSPIKE PROTEIN: INTERDIGITATED SUBUNITS IN A THERMOSTABLE TRIMER
Descriptor: TAILSPIKE-PROTEIN
Authors:Steinbacher, S, Seckler, R, Miller, S, Steipe, B, Huber, R, Reinemer, P.
Deposit date:1994-06-16
Release date:1995-09-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of P22 tailspike protein: interdigitated subunits in a thermostable trimer.
Science, 265, 1994
1UBY
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STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: DIMETHYLALLYL DIPHOSPHATE, FARNESYL DIPHOSPHATE SYNTHASE, MAGNESIUM ION
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
1UBW
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BU of 1ubw by Molmil
STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: FARNESYL DIPHOSPHATE SYNTHASE, GERANYL DIPHOSPHATE, MAGNESIUM ION
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
2PQJ
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BU of 2pqj by Molmil
Crystal structure of active ribosome inactivating protein from maize (b-32), complex with adenine
Descriptor: ADENINE, Ribosome-inactivating protein 3
Authors:Mak, A.N.S, Au, S.W.N, Cha, S.S, Young, J.A, Wong, K.B, Shaw, P.C.
Deposit date:2007-05-02
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-function study of maize ribosome-inactivating protein: implications for the internal inactivation region and the sole glutamate in the active site.
Nucleic Acids Res., 35, 2007
2PYN
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HIV-1 PR mutant in complex with nelfinavir
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN
Authors:Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J.
Deposit date:2007-05-16
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants
J.Mol.Biol., 374, 2007
2PZ8
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NAD+ Synthetase from Bacillus anthracis with AMP-CPP and Mg2+
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, MAGNESIUM ION, ...
Authors:McDonald, H.M, Pruett, P.S, Deivanayagam, C, Protasevich, I.I, Carson, W.M, DeLucas, L.J, Brouillette, W.J, Brouillette, C.G.
Deposit date:2007-05-17
Release date:2007-07-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural adaptation of an interacting non-native C-terminal helical extension revealed in the crystal structure of NAD(+) synthetase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 63, 2007
1G9J
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BU of 1g9j by Molmil
X-TAL STRUCTURE OF THE MUTANT E44Q OF THE CELLULASE CEL48F IN COMPLEX WITH A THIOOLIGOSACCHARIDE
Descriptor: CALCIUM ION, CELLULASE CEL48F, CHLORIDE ION, ...
Authors:Parsiegla, G, Tardif, C, Belaich, J.P, Driguez, H, Haser, R.
Deposit date:2000-11-24
Release date:2003-06-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of mutants of cellulase Cel48F of Clostridium cellulolyticum in complex with long hemithiocellooligosaccharides give rise to a new view of the substrate pathway during processive action
J.Mol.Biol., 375, 2008
1UQV
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SAM domain from Ste50p
Descriptor: STE50 PROTEIN
Authors:Grimshaw, S.J, Mott, H.R, Stott, K.M, Nielsen, P.R, Evetts, K.A, Hopkins, L.J, Nietlispach, D, Owen, D.
Deposit date:2003-10-20
Release date:2003-10-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the Sterile {Alpha} Motif (Sam) Domain of the Saccharomyces Cerevisiae Mitogen-Activated Protein Kinase Pathway-Modulating Protein Ste50 and Analysis of its Interaction with the Ste11 Sam
J.Biol.Chem., 279, 2004
2Q3Z
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Transglutaminase 2 undergoes large conformational change upon activation
Descriptor: Polypeptide, SULFATE ION, Transglutaminase 2
Authors:Strop, P, Pinkas, D.M, Brunger, A.T, Khosla, C.
Deposit date:2007-05-30
Release date:2007-10-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Transglutaminase 2 undergoes a large conformational change upon activation
Plos Biol., 5, 2007
1UII
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Crystal structure of Geminin coiled-coil domain
Descriptor: Geminin
Authors:Yuan, P, Swaminathan, K, Robinson, H.
Deposit date:2003-07-16
Release date:2004-07-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A dimerized coiled-coil domain and an adjoining part of geminin interact with two sites on Cdt1 for replication inhibition
Mol.Cell, 15, 2004
1GI0
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor: 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
2PK8
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Crystal structure of an uncharacterized protein PF0899 from Pyrococcus furiosus
Descriptor: GOLD (I) CYANIDE ION, Uncharacterized protein PF0899
Authors:Liu, Z.J, Tempel, W, Chen, L, Shah, A, Lee, D, Clancy-Kelley, L.L, Dillard, B.D, Rose, J.P, Sugar, F.J, Jenny Jr, F.E, Lee, H.S, Izumi, M, Shah, C, Poole III, F.L, Adams, M.W.W, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2007-04-17
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the hypothetical protein PF0899 from Pyrococcus furiosus at 1.85 A resolution.
Acta Crystallogr.,Sect.F, 63, 2007
2PNI
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SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN OF THE P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE
Descriptor: PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN
Authors:Booker, G.W, Gout, I, Downing, A.K, Driscoll, P.C, Boyd, J, Waterfield, M.D, Campbell, I.D.
Deposit date:1993-07-19
Release date:1993-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure and ligand-binding site of the SH3 domain of the p85 alpha subunit of phosphatidylinositol 3-kinase.
Cell(Cambridge,Mass.), 73, 1993
1UHR
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Solution structure of the SWIB domain of mouse BRG1-associated factor 60a
Descriptor: SWI/SNF related, matrix associated, actin dependent regulator of chromatin subfamily D member 1
Authors:Yamada, K, Saito, K, Nameki, N, Inoue, M, Koshiba, S, Shirouzu, M, Terada, T, Yabuki, T, Aoki, M, Matsuda, T, Seki, E, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-07-09
Release date:2004-08-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the SWIB domain of mouse BRG1-associated factor 60a
To be Published
1UHW
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Solution structure of the DEP domain of mouse pleckstrin
Descriptor: Pleckstrin
Authors:Inoue, K, Yoshida, M, Hatta, R, Hayashi, F, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Tanaka, A, Osanai, T, Matsuo, Y, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-07-11
Release date:2004-01-11
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the DEP domain of mouse pleckstrin
To be Published

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