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2I1B
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BU of 2i1b by Molmil
CRYSTALLOGRAPHIC REFINEMENT OF INTERLEUKIN-1 BETA AT 2.0 ANGSTROMS RESOLUTION
Descriptor: INTERLEUKIN-1 BETA
Authors:Priestle, J.P, Schaer, H.-P, Gruetter, M.G.
Deposit date:1990-01-02
Release date:1990-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic refinement of interleukin 1 beta at 2.0 A resolution.
Proc.Natl.Acad.Sci.USA, 86, 1989
1TMT
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BU of 1tmt by Molmil
CHANGES IN INTERACTIONS IN COMPLEXES OF HIRUDIN DERIVATIVES AND HUMAN ALPHA-THROMBIN DUE TO DIFFERENT CRYSTAL FORMS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:Priestle, J.P, Gruetter, M.G.
Deposit date:1994-05-26
Release date:1994-09-30
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms.
Protein Sci., 2, 1993
1TMU
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BU of 1tmu by Molmil
Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Hirudin variant-2, ...
Authors:Priestle, J.P, Gruetter, M.G.
Deposit date:1994-05-26
Release date:1994-09-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms.
Protein Sci., 2, 1993
1HII
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BU of 1hii by Molmil
COMPARATIVE ANALYSIS OF THE X-RAY STRUCTURES OF HIV-1 AND HIV-2 PROTEASES IN COMPLEX WITH CGP 53820, A NOVEL PSEUDOSYMMETRIC INHIBITOR
Descriptor: ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL, HIV-2 PROTEASE, SULFATE ION
Authors:Priestle, J.P, Gruetter, M.G.
Deposit date:1995-03-31
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comparative analysis of the X-ray structures of HIV-1 and HIV-2 proteases in complex with CGP 53820, a novel pseudosymmetric inhibitor.
Structure, 3, 1995
1HIH
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BU of 1hih by Molmil
COMPARATIVE ANALYSIS OF THE X-RAY STRUCTURES OF HIV-1 AND HIV-2 PROTEASES IN COMPLEX WITH CGP 53820, A NOVEL PSEUDOSYMMETRIC INHIBITOR
Descriptor: ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL, BETA-MERCAPTOETHANOL, HIV-1 PROTEASE
Authors:Priestle, J.P, Gruetter, M.G.
Deposit date:1995-03-31
Release date:1995-07-10
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Comparative analysis of the X-ray structures of HIV-1 and HIV-2 proteases in complex with CGP 53820, a novel pseudosymmetric inhibitor.
Structure, 3, 1995
1AN1
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BU of 1an1 by Molmil
LEECH-DERIVED TRYPTASE INHIBITOR/TRYPSIN COMPLEX
Descriptor: CALCIUM ION, TRYPSIN, TRYPTASE INHIBITOR
Authors:Priestle, J.P, Di Marco, S.
Deposit date:1997-06-26
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure of the complex of leech-derived tryptase inhibitor (LDTI) with trypsin and modeling of the LDTI-tryptase system.
Structure, 5, 1997
2MIB
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BU of 2mib by Molmil
THE STRUCTURE OF MURINE INTERLEUKIN-1 BETA AT 2.8 ANGSTROMS RESOLUTION
Descriptor: INTERLEUKIN-1 BETA
Authors:Priestle, J.P, Van Oostrum, J, Schmitz, A, Gruetter, M.G.
Deposit date:1993-12-06
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:The structure of murine interleukin-1 beta at 2.8 A resolution.
J.Struct.Biol., 107, 1991
1BX7
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BU of 1bx7 by Molmil
HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.2 ANGSTROMS
Descriptor: HIRUSTASIN, SULFATE ION
Authors:Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E.
Deposit date:1998-10-14
Release date:1999-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors.
Structure Fold.Des., 7, 1999
1BX8
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BU of 1bx8 by Molmil
HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.4 ANGSTROMS
Descriptor: HIRUSTASIN, SULFATE ION
Authors:Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E.
Deposit date:1998-10-14
Release date:1999-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors.
Structure Fold.Des., 7, 1999
1PII
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BU of 1pii by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE BIFUNCTIONAL ENZYME PHOSPHORIBOSYLANTHRANILATE ISOMERASE: INDOLEGLYCEROLPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI REFINED AT 2.0 ANGSTROMS RESOLUTION
Descriptor: N-(5'PHOSPHORIBOSYL)ANTHRANILATE ISOMERASE, PHOSPHATE ION
Authors:Wilmanns, M, Priestle, J.P, Jansonius, J.N.
Deposit date:1991-06-21
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of the bifunctional enzyme phosphoribosylanthranilate isomerase: indoleglycerolphosphate synthase from Escherichia coli refined at 2.0 A resolution.
J.Mol.Biol., 223, 1992
1RNE
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BU of 1rne by Molmil
THE CRYSTAL STRUCTURE OF RECOMBINANT GLYCOSYLATED HUMAN RENIN ALONE AND IN COMPLEX WITH A TRANSITION STATE ANALOG INHIBITOR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RENIN, [[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE
Authors:Gruetter, M.G, Rahuel, J, Priestle, J.P.
Deposit date:1991-12-12
Release date:1993-10-31
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structures of recombinant glycosylated human renin alone and in complex with a transition state analog inhibitor.
J.Struct.Biol., 107, 1991
1SBN
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BU of 1sbn by Molmil
REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES
Descriptor: CALCIUM ION, EGLIN C, SUBTILISIN NOVO BPN'
Authors:Gruetter, M.G, Heinz, D.W, Priestle, J.P.
Deposit date:1991-12-20
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Refined crystal structures of subtilisin novo in complex with wild-type and two mutant eglins. Comparison with other serine proteinase inhibitor complexes.
J.Mol.Biol., 217, 1991
1SIB
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BU of 1sib by Molmil
REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES
Descriptor: CALCIUM ION, EGLIN C, SUBTILISIN NOVO BPN'
Authors:Gruetter, M.G, Heinz, D.W, Priestle, J.P.
Deposit date:1993-08-02
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Refined crystal structures of subtilisin novo in complex with wild-type and two mutant eglins. Comparison with other serine proteinase inhibitor complexes.
J.Mol.Biol., 217, 1991
1TGK
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BU of 1tgk by Molmil
HUMAN TRANSFORMING GROWTH FACTOR BETA 3, CRYSTALLIZED FROM PEG 4000
Descriptor: TRANSFORMING GROWTH FACTOR BETA 3
Authors:Mittl, P.R.E, Priestle, J.P, Gruetter, M.G.
Deposit date:1996-07-10
Release date:1997-03-12
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The crystal structure of TGF-beta 3 and comparison to TGF-beta 2: implications for receptor binding.
Protein Sci., 5, 1996
1TGJ
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BU of 1tgj by Molmil
HUMAN TRANSFORMING GROWTH FACTOR-BETA 3, CRYSTALLIZED FROM DIOXANE
Descriptor: 1,4-DIETHYLENE DIOXIDE, TRANSFORMING GROWTH FACTOR-BETA 3
Authors:Mittl, P.R.E, Priestle, J.P, Gruetter, M.G.
Deposit date:1996-07-09
Release date:1997-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of TGF-beta 3 and comparison to TGF-beta 2: implications for receptor binding.
Protein Sci., 5, 1996
1PPD
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BU of 1ppd by Molmil
RESTRAINED LEAST-SQUARES REFINEMENT OF THE SULFHYDRYL PROTEASE PAPAIN TO 2.0 ANGSTROMS
Descriptor: 2-HYDROXYETHYL-THIOPAPAIN, BETA-MERCAPTOETHANOL
Authors:Jansonius, J.N.
Deposit date:1984-11-06
Release date:1985-01-02
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Restrained Least-Squares Refinement of the Sulfhydryl Protease Papain to 2.0 Angstroms
Acta Crystallogr.,Sect.A, 40, 1984
1CP3
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BU of 1cp3 by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE TETRAPEPTIDE INHIBITOR ACE-DVAD-FMC
Descriptor: ACETYL-ASP-VAL-ALA-ASP-FLUOROMETHYLKETONE, APOPAIN
Authors:Mittl, P.R.E, Dimarco, S, Gruetter, M.G.
Deposit date:1996-12-12
Release date:1997-12-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of recombinant human CPP32 in complex with the tetrapeptide acetyl-Asp-Val-Ala-Asp fluoromethyl ketone.
J.Biol.Chem., 272, 1997
6RA4
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BU of 6ra4 by Molmil
Human ARGONAUTE-2 PAZ DOMAIN (214-347) IN COMPLEX WITH CGUGACUCU
Descriptor: GLYCEROL, Protein argonaute-2, RNA (5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3')
Authors:Rondeau, J.-M, Bourgier, E.
Deposit date:2019-04-05
Release date:2019-05-08
Last modified:2019-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:How to Computationally Stack the Deck for Hit-to-Lead Generation: In Silico Molecular Interaction Energy Profiling for de Novo siRNA Guide Strand Surrogate Selection.
J.Chem.Inf.Model., 59, 2019
1HIA
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BU of 1hia by Molmil
KALLIKREIN COMPLEXED WITH HIRUSTASIN
Descriptor: HIRUSTASIN, KALLIKREIN
Authors:Mittl, P, Di Marco, S, Gruetter, M.
Deposit date:1996-12-12
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A new structural class of serine protease inhibitors revealed by the structure of the hirustasin-kallikrein complex.
Structure, 5, 1997
2V12
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BU of 2v12 by Molmil
Crystal Structure of Renin with Inhibitor 8
Descriptor: N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE, RENIN
Authors:Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V0Z
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BU of 2v0z by Molmil
Crystal Structure of Renin with Inhibitor 10 (Aliskiren)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALISKIREN, RENIN
Authors:Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V16
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BU of 2v16 by Molmil
Crystal Structure of Renin with Inhibitor 3
Descriptor: METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE, RENIN
Authors:Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
Deposit date:2007-05-22
Release date:2008-07-08
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V13
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Crystal Structure of Renin with Inhibitor 7
Descriptor: N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE, RENIN
Authors:Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
Deposit date:2007-05-21
Release date:2008-07-08
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V11
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BU of 2v11 by Molmil
Crystal Structure of Renin with Inhibitor 6
Descriptor: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE, RENIN
Authors:Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V10
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BU of 2v10 by Molmil
Crystal Structure of Renin with Inhibitor 9
Descriptor: (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE, RENIN
Authors:Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000

 

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