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5APR
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BU of 5apr by Molmil
STRUCTURES OF COMPLEXES OF RHIZOPUSPEPSIN WITH PEPSTATIN AND OTHER STATINE-CONTAINING INHIBITORS
Descriptor: CALCIUM ION, PEPSTATIN-LIKE RENIN INHIBITOR, RHIZOPUSPEPSIN
Authors:Suguna, K, Davies, D.R.
Deposit date:1989-08-03
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of complexes of rhizopuspepsin with pepstatin and other statine-containing inhibitors.
Proteins, 13, 1992
3APR
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BU of 3apr by Molmil
BINDING OF A REDUCED PEPTIDE INHIBITOR TO THE ASPARTIC PROTEINASE FROM RHIZOPUS CHINENSIS. IMPLICATIONS FOR A MECHANISM OF ACTION
Descriptor: REDUCED PEPTIDE INHIBITOR, RHIZOPUSPEPSIN
Authors:Suguna, K, Davies, D.R.
Deposit date:1987-06-22
Release date:1988-01-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of a reduced peptide inhibitor to the aspartic proteinase from Rhizopus chinensis: implications for a mechanism of action.
Proc.Natl.Acad.Sci.USA, 84, 1987
2GCH
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BU of 2gch by Molmil
REFINED CRYSTAL STRUCTURE OF GAMMA-CHYMOTRYPSIN AT 1.9 ANGSTROMS RESOLUTION
Descriptor: GAMMA-CHYMOTRYPSIN A
Authors:Cohen, G.H, Davies, D.R, Silverton, E.W.
Deposit date:1980-05-21
Release date:1980-07-09
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Refined crystal structure of gamma-chymotrypsin at 1.9 A resolution. Comparison with other pancreatic serine proteases.
J.Mol.Biol., 148, 1981
6APR
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BU of 6apr by Molmil
STRUCTURES OF COMPLEXES OF RHIZOPUSPEPSIN WITH PEPSTATIN AND OTHER STATINE-CONTAINING INHIBITORS
Descriptor: PEPSTATIN, RHIZOPUSPEPSIN
Authors:Suguna, K, Davies, D.R.
Deposit date:1989-08-03
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of complexes of rhizopuspepsin with pepstatin and other statine-containing inhibitors.
Proteins, 13, 1992
2MCP
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BU of 2mcp by Molmil
REFINED CRYSTAL STRUCTURE OF THE MC/PC603 FAB-PHOSPHOCHOLINE COMPLEX AT 3.1 ANGSTROMS RESOLUTION
Descriptor: IGA-KAPPA MCPC603 FAB (HEAVY CHAIN), IGA-KAPPA MCPC603 FAB (LIGHT CHAIN), PHOSPHOCHOLINE
Authors:Padlan, E.A, Cohen, G.H, Davies, D.R.
Deposit date:1984-10-15
Release date:1985-01-02
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Refined Crystal Structure of the Mc/Pc603 Fab-Phosphocholine Complex at 3.1 Angstroms Resolution
To be Published
2APR
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BU of 2apr by Molmil
STRUCTURE AND REFINEMENT AT 1.8 ANGSTROMS RESOLUTION OF THE ASPARTIC PROTEINASE FROM RHIZOPUS CHINENSIS
Descriptor: CALCIUM ION, RHIZOPUSPEPSIN
Authors:Suguna, K, Davies, D.R.
Deposit date:1987-03-19
Release date:1987-07-16
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and refinement at 1.8 A resolution of the aspartic proteinase from Rhizopus chinensis.
J.Mol.Biol., 196, 1987
3HFM
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BU of 3hfm by Molmil
STRUCTURE OF AN ANTIBODY-ANTIGEN COMPLEX. CRYSTAL STRUCTURE OF THE HY/HEL-10 FAB-LYSOZYME COMPLEX
Descriptor: HEN EGG WHITE LYSOZYME, HYHEL-10 IGG1 FAB (HEAVY CHAIN), HYHEL-10 IGG1 FAB (LIGHT CHAIN)
Authors:Padlan, E.A, Davies, D.R.
Deposit date:1988-08-11
Release date:1989-07-12
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of an antibody-antigen complex: crystal structure of the HyHEL-10 Fab-lysozyme complex.
Proc.Natl.Acad.Sci.USA, 86, 1989
2FBJ
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BU of 2fbj by Molmil
REFINED CRYSTAL STRUCTURE OF THE GALACTAN-BINDING IMMUNOGLOBULIN FAB J539 AT 1.95-ANGSTROMS RESOLUTION
Descriptor: 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, IGA-KAPPA J539 FAB (HEAVY CHAIN), ...
Authors:Bhat, T.N, Padlan, E.A, Davies, D.R.
Deposit date:1989-08-18
Release date:1990-07-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Refined Crystal Structure of the Galactan-Binding Immunoglobulin Fab J539 at 1.95-Angstroms Resolution
To be Published
2TGI
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BU of 2tgi by Molmil
CRYSTAL STRUCTURE OF TRANSFORMING GROWTH FACTOR-BETA2: AN UNUSUAL FOLD FOR THE SUPERFAMILY
Descriptor: TRANSFORMING GROWTH FACTOR ,BETA 2
Authors:Daopin, S, Davies, D.R.
Deposit date:1993-10-20
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of transforming growth factor-beta 2: an unusual fold for the superfamily.
Science, 257, 1992
1UBS
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BU of 1ubs by Molmil
TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) WITH A MUTATION OF LYS 87->THR IN THE B SUBUNIT AND IN THE PRESENCE OF LIGAND L-SERINE
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SERINE, SODIUM ION, ...
Authors:Rhee, S, Parris, K, Ahmed, S.A, Miles, E.W, Davies, D.R.
Deposit date:1995-12-14
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
1TTP
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BU of 1ttp by Molmil
TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF CESIUM, ROOM TEMPERATURE
Descriptor: CESIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE
Authors:Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R.
Deposit date:1995-10-11
Release date:1996-03-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
1TTQ
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BU of 1ttq by Molmil
TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF POTASSIUM AT ROOM TEMPERATURE
Descriptor: POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE
Authors:Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R.
Deposit date:1995-10-11
Release date:1996-03-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
5VPV
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BU of 5vpv by Molmil
Crystal structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase with an Acetylated Active Site Lysine
Descriptor: Acetyl-coenzyme A synthetase, GLYCEROL, PHOSPHATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Davies, D.R, Calhoun, B.
Deposit date:2017-05-05
Release date:2017-05-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase with an Acetylated Active Site Lysine
to be published
1WY4
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BU of 1wy4 by Molmil
Chicken villin subdomain HP-35, K65(NLE), N68H, pH5.1
Descriptor: IODIDE ION, SODIUM ION, Villin
Authors:Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R.
Deposit date:2005-02-04
Release date:2005-05-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1WY3
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BU of 1wy3 by Molmil
Chicken villin subdomain HP-35, K65(NLE), N68H, pH7.0
Descriptor: Villin
Authors:Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R.
Deposit date:2005-02-04
Release date:2005-05-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1RQD
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BU of 1rqd by Molmil
deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form with the inhibitor GC7 bound in the active site
Descriptor: 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
Deposit date:2003-12-04
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex
J.Biol.Chem., 279, 2004
1YRF
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BU of 1yrf by Molmil
Chicken villin subdomain HP-35, N68H, pH6.7
Descriptor: ACETATE ION, SULFATE ION, Villin
Authors:Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R.
Deposit date:2005-02-03
Release date:2005-05-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1RLZ
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BU of 1rlz by Molmil
Deoxyhypusine synthase holoenzyme in its high ionic strength, low pH crystal form
Descriptor: Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
Deposit date:2003-11-26
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex
J.Biol.Chem., 279, 2004
1ROZ
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BU of 1roz by Molmil
Deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form
Descriptor: Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
Deposit date:2003-12-02
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex
J.Biol.Chem., 279, 2004
1YQV
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BU of 1yqv by Molmil
The crystal structure of the antibody Fab HyHEL5 complex with lysozyme at 1.7A resolution
Descriptor: Hen Egg White Lysozyme, HyHEL-5 Antibody Heavy Chain, HyHEL-5 Antibody Light Chain
Authors:Cohen, G.H, Silverton, E.W, Padlan, E.A, Dyda, F, Wibbenmeyer, J.A, Wilson, R.C, Davies, D.R.
Deposit date:2005-02-02
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Water molecules in the antibody-antigen interface of the structure of the Fab HyHEL-5-lysozyme complex at 1.7 A resolution: comparison with results from isothermal titration calorimetry.
Acta Crystallogr.,Sect.D, 61, 2005
1YRI
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BU of 1yri by Molmil
Chicken villin subdomain HP-35, N68H, pH6.4
Descriptor: ACETATE ION, IODIDE ION, Villin
Authors:Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R.
Deposit date:2005-02-03
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1 Å)
Cite:High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2A0Z
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BU of 2a0z by Molmil
The molecular structure of toll-like receptor 3 ligand binding domain
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bell, J.K, Botos, I, Hall, P.R, Askins, J, Shiloach, J, Segal, D.M, Davies, D.R.
Deposit date:2005-06-17
Release date:2005-08-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular structure of the Toll-like receptor 3 ligand-binding domain
Proc.Natl.Acad.Sci.USA, 102, 2005
1ZYM
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BU of 1zym by Molmil
AMINO TERMINAL DOMAIN OF ENZYME I FROM ESCHERICHIA COLI
Descriptor: ENZYME I
Authors:Liao, D.-I, Davies, D.R.
Deposit date:1996-05-21
Release date:1996-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The first step in sugar transport: crystal structure of the amino terminal domain of enzyme I of the E. coli PEP: sugar phosphotransferase system and a model of the phosphotransfer complex with HPr.
Structure, 4, 1996
6Q0D
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BU of 6q0d by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
Authors:Dranow, D.M, Davies, D.R.
Deposit date:2019-08-01
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
1FL8
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BU of 1fl8 by Molmil
HYPERMODIFIED NUCLEOSIDES IN THE ANTICODON OF TRNALYS STABILIZE A CANONICAL U-TURN STRUCTURE
Descriptor: ANTICODON DOMAIN OF TRNA(LYS)
Authors:Sundaram, M, Durant, P.C, Davis, D.R.
Deposit date:2000-08-11
Release date:2000-10-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Hypermodified nucleosides in the anticodon of tRNALys stabilize a canonical U-turn structure.
Biochemistry, 39, 2000

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