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4J1I
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BU of 4j1i by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-02-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J17
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BU of 4j17 by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-4-difluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-02-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J0Z
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BU of 4j0z by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,5R)-2-amino-5-fluoro-4-fluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,5R)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-01-31
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J1F
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BU of 4j1f by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6S)-2-amino-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-02-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4MZO
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BU of 4mzo by Molmil
Mouse cathepsin s with covalent ligand (3S,4S)-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)-1-(PHENYLSULFONYL)PYRROLIDINE-3-CARBOXAMIDE
Descriptor: (3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide, Cathepsin S
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-09-30
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
J.Med.Chem., 56, 2013
4MZS
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BU of 4mzs by Molmil
Mouse cathepsin s with covalent ligand (3S,4S)-1-[(2-CHLOROPHENYL)SULFONYL]-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)PYRROLIDINE-3-CARBOXAMIDE
Descriptor: (3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide, Cathepsin S
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-09-30
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
J.Med.Chem., 56, 2013
1RVE
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BU of 1rve by Molmil
THE CRYSTAL STRUCTURE OF ECORV ENDONUCLEASE AND OF ITS COMPLEXES WITH COGNATE AND NON-COGNATE DNA FRAGMENTS
Descriptor: ENDONUCLEASE EcoR V
Authors:Winkler, F.K.
Deposit date:1992-02-24
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of EcoRV endonuclease and of its complexes with cognate and non-cognate DNA fragments.
EMBO J., 12, 1993
4EPH
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BU of 4eph by Molmil
CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX with CoA-site inhibitor
Descriptor: 2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid, Carnitine O-palmitoyltransferase 2, mitochondrial, ...
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2012-04-17
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
4EP9
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BU of 4ep9 by Molmil
CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX WITH CoA-site inhibitor
Descriptor: 4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid, Carnitine O-palmitoyltransferase 2, mitochondrial, ...
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2012-04-17
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
3ZLQ
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BU of 3zlq by Molmil
BACE2 XAPERONE COMPLEX
Descriptor: 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide, BETA-SECRETASE 2, XA4813
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-02-04
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease.
J.Med.Chem., 56, 2013
1BF9
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BU of 1bf9 by Molmil
N-TERMINAL EGF-LIKE DOMAIN FROM HUMAN FACTOR VII, NMR, 23 STRUCTURES
Descriptor: FACTOR VII
Authors:Muranyi, A, Finn, B.E, Gippert, G.P, Forsen, S, Stenflo, J, Drakenberg, T.
Deposit date:1998-05-28
Release date:1999-02-16
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal EGF-like domain from human factor VII.
Biochemistry, 37, 1998
1RVA
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BU of 1rva by Molmil
MG2+ BINDING TO THE ACTIVE SITE OF ECO RV ENDONUCLEASE: A CRYSTALLOGRAPHIC STUDY OF COMPLEXES WITH SUBSTRATE AND PRODUCT DNA AT 2 ANGSTROMS RESOLUTION
Descriptor: DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*T)-3'), PROTEIN (ECO RV (E.C.3.1.21.4))
Authors:Kostrewa, D, Winkler, F.K.
Deposit date:1994-10-21
Release date:1995-01-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mg2+ binding to the active site of EcoRV endonuclease: a crystallographic study of complexes with substrate and product DNA at 2 A resolution.
Biochemistry, 34, 1995
1RVB
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BU of 1rvb by Molmil
MG2+ BINDING TO THE ACTIVE SITE OF ECO RV ENDONUCLEASE: A CRYSTALLOGRAPHIC STUDY OF COMPLEXES WITH SUBSTRATE AND PRODUCT DNA AT 2 ANGSTROMS RESOLUTION
Descriptor: DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*T)-3'), MAGNESIUM ION, PROTEIN (ECO RV (E.C.3.1.21.4))
Authors:Kostrewa, D, Winkler, F.K.
Deposit date:1994-10-21
Release date:1995-01-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mg2+ binding to the active site of EcoRV endonuclease: a crystallographic study of complexes with substrate and product DNA at 2 A resolution.
Biochemistry, 34, 1995
1RVC
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BU of 1rvc by Molmil
MG2+ BINDING TO THE ACTIVE SITE OF ECO RV ENDONUCLEASE: A CRYSTALLOGRAPHIC STUDY OF COMPLEXES WITH SUBSTRATE AND PRODUCT DNA AT 2 ANGSTROMS RESOLUTION
Descriptor: DNA (5'-D(*AP*AP*AP*GP*AP*T)-3'), DNA (5'-D(*AP*TP*CP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Kostrewa, D, Winkler, F.K.
Deposit date:1994-10-21
Release date:1995-01-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mg2+ binding to the active site of EcoRV endonuclease: a crystallographic study of complexes with substrate and product DNA at 2 A resolution.
Biochemistry, 34, 1995
1YO7
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BU of 1yo7 by Molmil
Re-engineering topology of the homodimeric ROP protein into a single-chain 4-helix bundle
Descriptor: Regulatory protein rop, ZINC ION
Authors:Sagermann, M, Emery, S.C, Sander, C.
Deposit date:2005-01-26
Release date:2005-02-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Re-engineering topology of the homodimeric ROP protein into a single-chain 4-helix bundle.
To be Published
1YPI
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BU of 1ypi by Molmil
STRUCTURE OF YEAST TRIOSEPHOSPHATE ISOMERASE AT 1.9-ANGSTROMS RESOLUTION
Descriptor: TRIOSEPHOSPHATE ISOMERASE
Authors:Alber, T, Lolis, E, Petsko, G.A.
Deposit date:1990-01-12
Release date:1991-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of yeast triosephosphate isomerase at 1.9-A resolution.
Biochemistry, 29, 1990
2GE5
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BU of 2ge5 by Molmil
EcoRV Restriction Endonuclease C-terminal deletion mutant/GATATC/Ca2+
Descriptor: 5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*T)-3', CALCIUM ION, Type II restriction enzyme EcoRV
Authors:Hiller, D.A, Perona, J.J.
Deposit date:2006-03-17
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Positively Charged C-Terminal Subdomains of EcoRV Endonuclease: Contributions to DNA Binding, Bending, and Cleavage.
Biochemistry, 45, 2006
1NCF
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BU of 1ncf by Molmil
A NEW PARADIGM FOR TUMOR NECROSIS FACTOR SIGNALLING
Descriptor: TUMOR NECROSIS FACTOR RECEPTOR
Authors:Naismith, J.H, Sprang, S.R.
Deposit date:1994-10-12
Release date:1995-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystallographic evidence for dimerization of unliganded tumor necrosis factor receptor.
J.Biol.Chem., 270, 1995
1NKD
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BU of 1nkd by Molmil
ATOMIC RESOLUTION (1.07 ANGSTROMS) STRUCTURE OF THE ROP MUTANT <2AA>
Descriptor: ROP
Authors:Vlassi, M, Kokkinidis, M.
Deposit date:1997-09-23
Release date:1999-03-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structural parameters for proteins derived from the atomic resolution (1.09 A) structure of a designed variant of the ColE1 ROP protein.
Acta Crystallogr.,Sect.D, 54, 1998
1PAZ
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BU of 1paz by Molmil
REFINEMENT OF THE STRUCTURE OF PSEUDOAZURIN FROM ALCALIGENES FAECALIS S-6 AT 1.55 ANGSTROMS RESOLUTION
Descriptor: COPPER (II) ION, PSEUDOAZURIN PRECURSOR
Authors:Petratos, K, Dauter, Z, Wilson, K.S.
Deposit date:1988-06-28
Release date:1988-10-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Refinement of the structure of pseudoazurin from Alcaligenes faecalis S-6 at 1.55 A resolution.
Acta Crystallogr.,Sect.B, 44, 1988
2YPI
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BU of 2ypi by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ISOMERASE AND 2-PHOSPHOGLYCOLATE AT 2.5-ANGSTROMS RESOLUTION. IMPLICATIONS FOR CATALYSIS
Descriptor: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Lolis, E, Petsko, G.A.
Deposit date:1990-01-12
Release date:1991-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of the complex between triosephosphate isomerase and 2-phosphoglycolate at 2.5-A resolution: implications for catalysis.
Biochemistry, 29, 1990
1EXT
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BU of 1ext by Molmil
EXTRACELLULAR DOMAIN OF THE 55KDA TUMOR NECROSIS FACTOR RECEPTOR. CRYSTALLIZED AT PH3.7 IN P 21 21 21.
Descriptor: MAGNESIUM ION, SULFATE ION, TUMOR NECROSIS FACTOR RECEPTOR
Authors:Naismith, J.H, Sprang, S.R.
Deposit date:1996-07-03
Release date:1997-01-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the extracellular domain of the type I tumor necrosis factor receptor.
Structure, 4, 1996
1FT4
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BU of 1ft4 by Molmil
PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
Descriptor: 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE, SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1
Authors:Muckelbauer, J.K, Chang, C.-H.
Deposit date:2000-09-11
Release date:2001-10-12
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001
1IFJ
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BU of 1ifj by Molmil
MOLECULAR MODELS AND STRUCTURAL COMPARISONS OF NATIVE AND MUTANT CLASS I FILAMENTOUS BACTERIOPHAGES FF (FD, F1, M13), IF1 AND IKE
Descriptor: INOVIRUS
Authors:Marvin, D.A.
Deposit date:1994-01-31
Release date:1994-07-31
Last modified:2024-02-07
Method:FIBER DIFFRACTION (3.3 Å)
Cite:Molecular models and structural comparisons of native and mutant class I filamentous bacteriophages Ff (fd, f1, M13), If1 and IKe.
J.Mol.Biol., 235, 1994
1IFI
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BU of 1ifi by Molmil
MOLECULAR MODELS AND STRUCTURAL COMPARISONS OF NATIVE AND MUTANT CLASS I FILAMENTOUS BACTERIOPHAGES FF (FD, F1, M13), IF1 AND IKE
Descriptor: INOVIRUS
Authors:Marvin, D.A.
Deposit date:1994-01-31
Release date:1994-07-31
Last modified:2024-02-07
Method:FIBER DIFFRACTION (3.3 Å)
Cite:Molecular models and structural comparisons of native and mutant class I filamentous bacteriophages Ff (fd, f1, M13), If1 and IKe.
J.Mol.Biol., 235, 1994

220113

數據於2024-05-22公開中

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