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5NMT
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BU of 5nmt by Molmil
Dimer structure of Sortilin ectodomain crystal form 1, 2.3A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Leloup, N.O.L, Janssen, B.J.C.
Deposit date:2017-04-07
Release date:2017-11-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
5NHR
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BU of 5nhr by Molmil
CRYSTAL STRUCTURE OF THE Activin receptor type-2B LIGAND BINDING DOMAIN IN COMPLEX WITH BIMAGRUMAB FV, CUBIC CRYSTAL FORM
Descriptor: Activin receptor type-2B, Bimagrumab Fv Light-Chain, Bimagrumab Fv heavy-chain
Authors:Rondeau, J.-M.
Deposit date:2017-03-22
Release date:2017-11-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Blockade of activin type II receptors with a dual anti-ActRIIA/IIB antibody is critical to promote maximal skeletal muscle hypertrophy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2RJK
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BU of 2rjk by Molmil
Crystal Structure of Human TL1A Extracellular Domain C95S Mutant
Descriptor: TNF superfamily ligand TL1A
Authors:Zhan, C, Yan, Q, Patskovsky, Y, Shi, W, Ramagopal, U.A, Toro, R, Bonanno, J, Nathenson, S.G, Almo, S.C.
Deposit date:2007-10-15
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biochemical and structural characterization of the human TL1A ectodomain.
Biochemistry, 48, 2009
3T19
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BU of 3t19 by Molmil
Crystal structure of HIV-1 reverse transcriptase (wild type) in complex with inhibitor M05
Descriptor: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
Authors:Yan, Y, Reid, J.
Deposit date:2011-07-21
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
2QDN
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BU of 2qdn by Molmil
Crystal Structure of mouse GITRL
Descriptor: GITR ligand
Authors:Chattopadhyay, K, Ramagopal, U.A, Nathenson, S.G, Almo, S.C.
Deposit date:2007-06-21
Release date:2008-01-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Evolution of GITRL immune function: murine GITRL exhibits unique structural and biochemical properties within the TNF superfamily.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CDP
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BU of 3cdp by Molmil
Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid
Descriptor: (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Mazza, F.
Deposit date:2008-02-27
Release date:2009-01-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists
Bioorg.Med.Chem., 20, 2012
2RJL
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BU of 2rjl by Molmil
Crystal structure of human TL1A extracellular domain C95S/C135S mutant
Descriptor: TNF superfamily ligand TL1A
Authors:Zhan, C, Patskovsky, Y, Yan, Q, Shi, W, Toro, R, Bonanno, J, Nathenson, S.G, Almo, S.C.
Deposit date:2007-10-15
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biochemical and structural characterization of the human TL1A ectodomain.
Biochemistry, 48, 2009
3CJO
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BU of 3cjo by Molmil
Crystal structure of KSP in complex with inhibitor 30
Descriptor: (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
Authors:Yan, Y.
Deposit date:2008-03-13
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Kinesin spindle protein (KSP) inhibitors. 9. Discovery of (2S)-4-(2,5-difluorophenyl)-n-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (MK-0731) for the treatment of taxane-refractory cancer.
J.Med.Chem., 51, 2008
1QL8
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BU of 1ql8 by Molmil
FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
Descriptor: CALCIUM ION, SULFATE ION, TRYPSIN, ...
Authors:Stubbs, M.T.
Deposit date:1999-08-24
Release date:2000-08-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ph-Dependent Binding Modes Observed in Trypsin Crystals: Lessons for the Structure-Based Drug Design
Chembiochem, 3, 2002
1QL7
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BU of 1ql7 by Molmil
FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
Descriptor: CALCIUM ION, SULFATE ION, TRYPSIN, ...
Authors:Stubbs, M.T.
Deposit date:1999-08-24
Release date:2000-08-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ph-Dependent Binding Modes Observed in Trypsin Crystals: Lessons for the Structure-Based Drug Design
Chembiochem, 3, 2002
2FP7
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BU of 2fp7 by Molmil
West Nile Virus NS2B/NS3protease in complex with Bz-Nle-Lys-Arg-Arg-H
Descriptor: Genome polyprotein, N-benzoyl-L-norleucyl-L-lysyl-N-[(2S)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-argininamide
Authors:Schiering, N, D'Arcy, A, Erbel, P.
Deposit date:2006-01-16
Release date:2006-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural basis for the activation of flaviviral NS3 proteases from dengue and West Nile virus.
Nat.Struct.Mol.Biol., 13, 2006
1OEJ
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BU of 1oej by Molmil
YodA from Escherichia coli crystallised with no added ions
Descriptor: HYPOTHETICAL PROTEIN YODA, NICKEL (II) ION
Authors:David, G, Blondeau, K, Renouard, M, Penel, S, Lewit-Bentley, A.
Deposit date:2003-03-27
Release date:2003-08-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Yoda from Escherichia Coli is a Metal-Binding, Lipocalin-Like Protein
J.Biol.Chem., 278, 2003
1OEE
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BU of 1oee by Molmil
YodA from Escherichia coli crystallised with cadmium ions
Descriptor: CADMIUM ION, HYPOTHETICAL PROTEIN YODA
Authors:David, G, Blondeau, K, Renouard, M, Penel, S, Lewit-Bentley, A.
Deposit date:2003-03-27
Release date:2003-08-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Yoda from Escherichia Coli is a Metal-Binding, Lipocalin-Like Protein
J.Biol.Chem., 278, 2003
1OEK
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BU of 1oek by Molmil
YodA from Escherichia coli crystallised with zinc ions
Descriptor: METAL-BINDING PROTEIN ZINT, ZINC ION
Authors:David, G, Blondeau, K, Renouard, M, Penel, S, Lewit-Bentley, A.
Deposit date:2003-03-28
Release date:2003-08-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Yoda from Escherichia Coli is a Metal-Binding, Lipocalin-Like Protein
J.Biol.Chem., 278, 2003
4D10
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BU of 4d10 by Molmil
Crystal structure of the COP9 signalosome
Descriptor: COP9 SIGNALOSOME COMPLEX SUBUNIT 1, COP9 SIGNALOSOME COMPLEX SUBUNIT 2, COP9 SIGNALOSOME COMPLEX SUBUNIT 3, ...
Authors:Bunker, R.D, Lingaraju, G.M, Thoma, N.H.
Deposit date:2014-04-30
Release date:2014-07-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal Structure of the Human Cop9 Signalosome
Nature, 512, 2014
1V2K
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BU of 1v2k by Molmil
Factor XA specific Inhibitor in complex with bovine trypsin variant X(triple.Glu)bT.D2
Descriptor: CALCIUM ION, SULFATE ION, Trypsin, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2Q
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BU of 1v2q by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSWI)bT.B4
Descriptor: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2S
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BU of 1v2s by Molmil
Benzamidine in complex with bovine trypsin variant X(SSFI.Glu)bT.D1
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2J
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BU of 1v2j by Molmil
BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSRI)bT.C1
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2O
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BU of 1v2o by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.B4
Descriptor: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2M
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BU of 1v2m by Molmil
Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.A1
Descriptor: BENZAMIDINE, SULFATE ION, Trypsin
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2U
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BU of 1v2u by Molmil
Benzamidine in complex with bovine trypsin varinat X(SSAI)bT.D1
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
5MBL
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BU of 5mbl by Molmil
Cathepsin B in complex with DARPin 81
Descriptor: Cathepsin B, DARPin 81, SULFATE ION
Authors:Turk, D, Kramer, L, Renko, M, Turk, B.
Deposit date:2016-11-08
Release date:2017-12-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Cathepsin B in complex with DARPin 81
To Be Published
1V2T
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BU of 1v2t by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSFI.Glu)bT.B4
Descriptor: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2V
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BU of 1v2v by Molmil
Benzamidine in complex with bovine trypsin variant X(SSAI)bT.C1
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004

238582

数据于2025-07-09公开中

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