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3F0E
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BU of 3f0e by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, MAGNESIUM ION, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-10-24
Release date:2008-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3GNC
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BU of 3gnc by Molmil
Crystal structure of Glutaryl-COA dehydrogenase from Burkholderia Pseudomallei with fragment 6421
Descriptor: 1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glutaryl-CoA dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-16
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Acta Crystallogr.,Sect.F, 67, 2011
1AGQ
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BU of 1agq by Molmil
GLIAL CELL-DERIVED NEUROTROPHIC FACTOR FROM RAT
Descriptor: GLIAL CELL-DERIVED NEUROTROPHIC FACTOR
Authors:Eigenbrot, C, Gerber, N.
Deposit date:1997-03-25
Release date:1997-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structure of glial cell-derived neurotrophic factor at 1.9 A resolution and implications for receptor binding.
Nat.Struct.Biol., 4, 1997
1BI4
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BU of 1bi4 by Molmil
CATALYTIC DOMAIN OF HIV-1 INTEGRASE
Descriptor: INTEGRASE
Authors:Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V.
Deposit date:1998-06-22
Release date:1998-11-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
1BHL
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BU of 1bhl by Molmil
CACODYLATED CATALYTIC DOMAIN OF HIV-1 INTEGRASE
Descriptor: HIV-1 INTEGRASE
Authors:Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V.
Deposit date:1998-06-10
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
1C29
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BU of 1c29 by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID
Descriptor: 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E.
Deposit date:1999-07-23
Release date:2000-01-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
1BL3
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BU of 1bl3 by Molmil
CATALYTIC DOMAIN OF HIV-1 INTEGRASE
Descriptor: INTEGRASE, MAGNESIUM ION
Authors:Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V.
Deposit date:1998-07-23
Release date:1998-09-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
1C9D
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BU of 1c9d by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Descriptor: 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Lolis, E, Sachpatzidis, A.
Deposit date:1999-08-02
Release date:1999-12-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
1C8V
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BU of 1c8v by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Descriptor: 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E.
Deposit date:1999-07-30
Release date:2000-01-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
4APE
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BU of 4ape by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN
Authors:Pearl, L.H, Sewell, B.T, Jenkins, J.A, Cooper, J.B, Blundell, T.L.
Deposit date:1986-06-09
Release date:1986-07-14
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
6MBQ
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BU of 6mbq by Molmil
Crystal structure of Mg-free wild-type KRAS (2-166) bound to GMPPNP in the state 1 conformation
Descriptor: 1,2-ETHANEDIOL, GTPase KRas, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Dharmaiah, S, Davies, D.R, Abendroth, J, Gillette, W.G, Stephen, A.G, Simanshu, D.K.
Deposit date:2018-08-30
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
6VC8
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BU of 6vc8 by Molmil
Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K.
Deposit date:2019-12-20
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
5ER1
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BU of 5er1 by Molmil
A rational approach to the design of antihypertensives. X-ray studies of complexes between aspartic proteinases and aminoalcohol renin inhibitors
Descriptor: ENDOTHIAPEPSIN, methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate
Authors:Cooper, J.B, Foundling, S.I, Blundell, T.L.
Deposit date:1990-11-07
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Rational Approach to the Design of Antihypertensives. X-Ray Studies of Complexes between Aspartic Proteinases and Aminoalcohol Renin Inhibitors
Topics in Medicinal Chemistry, 1988
5ER2
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BU of 5er2 by Molmil
High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme
Descriptor: 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN
Authors:Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L.
Deposit date:1991-01-02
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme.
EMBO J., 8, 1989
4ER2
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BU of 4er2 by Molmil
The active site of aspartic proteinases
Descriptor: ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION
Authors:Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The active site of aspartic proteinases
FEBS Lett., 174, 1984
4ER4
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BU of 4er4 by Molmil
HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES
Descriptor: ENDOTHIAPEPSIN, H-142
Authors:Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L.
Deposit date:1991-01-05
Release date:1991-04-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
Nature, 327, 1987
4ER1
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BU of 4er1 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide
Authors:Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L.
Deposit date:1990-10-14
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The active site of aspartic proteinases
FEBS Lett., 174, 1984
2ITG
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BU of 2itg by Molmil
CATALYTIC DOMAIN OF HIV-1 INTEGRASE: ORDERED ACTIVE SITE IN THE F185H CONSTRUCT
Descriptor: HUMAN IMMUNODEFICIENCY VIRUS-1 INTEGRASE
Authors:Bujacz, G, Alexandratos, J, Wlodawer, A, Zhou-Liu, Q, Clement-Mella, C.
Deposit date:1996-09-13
Release date:1997-03-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The catalytic domain of human immunodeficiency virus integrase: ordered active site in the F185H mutant.
FEBS Lett., 398, 1996
1IKP
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BU of 1ikp by Molmil
Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A mutant
Descriptor: CHLORIDE ION, EXOTOXIN A, SODIUM ION
Authors:McKay, D.B, Wedekind, J.E, Trame, C.B.
Deposit date:2001-05-04
Release date:2001-12-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A and its Implications for the Molecular Mechanism of Toxicity
J.Mol.Biol., 314, 2001
1IKQ
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BU of 1ikq by Molmil
Pseudomonas Aeruginosa Exotoxin A, wild type
Descriptor: CHLORIDE ION, EXOTOXIN A, SODIUM ION
Authors:McKay, D.B, Wedekind, J.E, Trame, C.B.
Deposit date:2001-05-04
Release date:2001-12-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A and its Implications for the Molecular Mechanism of Toxicity
J.Mol.Biol., 314, 2001
2SOD
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BU of 2sod by Molmil
DETERMINATION AND ANALYSIS OF THE 2 ANGSTROM STRUCTURE OF COPPER, ZINC SUPEROXIDE DISMUTASE
Descriptor: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
Authors:Tainer, J.A, Getzoff, E.D, Richardson, J.S, Richardson, D.C.
Deposit date:1980-03-25
Release date:1980-05-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determination and analysis of the 2 A-structure of copper, zinc superoxide dismutase.
J.Mol.Biol., 160, 1982
2ER7
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BU of 2er7 by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES.III. THREE-DIMENSIONAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH A TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN AT 1.6 ANGSTROMS RESOLUTION
Descriptor: ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN
Authors:Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L.
Deposit date:1990-11-12
Release date:1991-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution.
J.Mol.Biol., 216, 1990
2ER9
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BU of 2er9 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES.
Descriptor: ENDOTHIAPEPSIN, L363,564
Authors:Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2ER6
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BU of 2er6 by Molmil
The structure of a synthetic pepsin inhibitor complexed with endothiapepsin.
Descriptor: ENDOTHIAPEPSIN, H-256 peptide
Authors:Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L.
Deposit date:1990-10-13
Release date:1991-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of a synthetic pepsin inhibitor complexed with endothiapepsin
Eur.J.Biochem., 169, 1987
2ER0
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BU of 2er0 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES
Descriptor: ENDOTHIAPEPSIN, L364,099
Authors:Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989

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