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1ETB
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BU of 1etb by Molmil
THE X-RAY CRYSTAL STRUCTURE REFINEMENTS OF NORMAL HUMAN TRANSTHYRETIN AND THE AMYLOIDOGENIC VAL 30-->MET VARIANT TO 1.7 ANGSTROMS RESOLUTION
Descriptor: 3,5,3',5'-TETRAIODO-L-THYRONINE, TRANSTHYRETIN
Authors:Braden, B.C, Steinrauf, L.K, Hamilton, J.A.
Deposit date:1993-05-12
Release date:1995-01-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The x-ray crystal structure refinements of normal human transthyretin and the amyloidogenic Val-30-->Met variant to 1.7-A resolution.
J.Biol.Chem., 268, 1993
2OLB
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BU of 2olb by Molmil
OLIGOPEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH TRI-LYSINE
Descriptor: ACETATE ION, OLIGO-PEPTIDE BINDING PROTEIN, TRIPEPTIDE LYS-LYS-LYS, ...
Authors:Tame, J, Wilkinson, A.J.
Deposit date:1995-09-10
Release date:1996-01-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structures of the oligopeptide-binding protein OppA complexed with tripeptide and tetrapeptide ligands.
Structure, 3, 1995
5VSB
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BU of 5vsb by Molmil
Structure of DUB complex
Descriptor: 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VS6
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BU of 5vs6 by Molmil
Structure of DUB complex
Descriptor: ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VR9
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BU of 5vr9 by Molmil
CH1/Ckappa Fab based on Matuzumab
Descriptor: CH1/Ckappa Fab heavy chain, CH1/Ckappa Fab light chain
Authors:Hendle, J.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017
5VSH
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BU of 5vsh by Molmil
CH1/Clambda Fab based on Pertuzumab
Descriptor: CH1/Clambda Fab heavy chain, CH1/Clambda Fab light chain, SULFATE ION
Authors:Hendle, J.
Deposit date:2017-05-11
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017
5W4Q
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BU of 5w4q by Molmil
Structure of the R18A/E28A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-06-12
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5VSK
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BU of 5vsk by Molmil
Structure of DUB complex
Descriptor: 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
Authors:Seo, H.-Y, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5W4P
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BU of 5w4p by Molmil
Structure of the E28A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-06-12
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5W4W
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BU of 5w4w by Molmil
Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Descriptor: 4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Casein kinase I isoform delta, SULFATE ION
Authors:Liu, S.
Deposit date:2017-06-13
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors.
ACS Chem Neurosci, 8, 2017
5W4O
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BU of 5w4o by Molmil
Structure of the R18A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-06-12
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5W89
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BU of 5w89 by Molmil
Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-18
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-18
Authors:Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5WHZ
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BU of 5whz by Molmil
PGDM1400-10E8v4 CODV Fab
Descriptor: Anti-HIV CODV-Fab Heavy chain, Anti-HIV CODV-Fab Light chain
Authors:Lord, D.M, Wei, R.R.
Deposit date:2017-07-18
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.549 Å)
Cite:Trispecific broadly neutralizing HIV antibodies mediate potent SHIV protection in macaques.
Science, 358, 2017
5W8F
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BU of 5w8f by Molmil
Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-14
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-14
Authors:Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5WB1
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BU of 5wb1 by Molmil
Ligand-free US28 with stabilizing intracellular nanobody
Descriptor: Envelope protein US28, nanobody 7 fusion protein
Authors:Jude, K.M, Burg, J.S, Garcia, K.C.
Deposit date:2017-06-27
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.508 Å)
Cite:Viral GPCR US28 can signal in response to chemokine agonists of nearly unlimited structural degeneracy.
Elife, 7, 2018
5WO4
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BU of 5wo4 by Molmil
JAK1 complexed with compound 28
Descriptor: 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lesburg, C.A, Patel, S.B.
Deposit date:2017-08-01
Release date:2017-12-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
1JEU
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BU of 1jeu by Molmil
OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KEK
Descriptor: OLIGO-PEPTIDE BINDING PROTEIN, PEPTIDE LYS GLU LYS, URANYL (VI) ION
Authors:Tame, J, Wilkinson, A.J.
Deposit date:1996-07-03
Release date:1997-05-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The role of water in sequence-independent ligand binding by an oligopeptide transporter protein.
Nat.Struct.Biol., 3, 1996
1JEV
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BU of 1jev by Molmil
OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KWK
Descriptor: OLIGO-PEPTIDE BINDING PROTEIN, PEPTIDE LYS TRP LYS, URANYL (VI) ION
Authors:Tame, J, Wilkinson, A.J.
Deposit date:1996-07-03
Release date:1997-05-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The role of water in sequence-independent ligand binding by an oligopeptide transporter protein.
Nat.Struct.Biol., 3, 1996
1JET
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BU of 1jet by Molmil
OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KAK
Descriptor: OLIGO-PEPTIDE BINDING PROTEIN, PEPTIDE LYS ALA LYS, URANYL (VI) ION
Authors:Tame, J, Wilkinson, A.J.
Deposit date:1996-07-03
Release date:1997-05-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The role of water in sequence-independent ligand binding by an oligopeptide transporter protein.
Nat.Struct.Biol., 3, 1996
2FXR
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BU of 2fxr by Molmil
human beta tryptase II complexed with activated ketone inhibitor CRA-29382
Descriptor: ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2
Authors:Katz, B.A.
Deposit date:2006-02-06
Release date:2006-02-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2GFX
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BU of 2gfx by Molmil
Structure of E. coli FabF(C163Q) in complex with Platensimycin
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, PLATENSIMYCIN
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
2GFW
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BU of 2gfw by Molmil
Structure of wild type E. coli FabF (KASII)
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
2GFY
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BU of 2gfy by Molmil
Structure of E. coli FabF(K335A) mutant with covalently linked dodecanoic acid
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, LAURIC ACID
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
2GDE
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BU of 2gde by Molmil
Thrombin in complex with inhibitor
Descriptor: (R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTAHYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE, Hirudin, SODIUM ION, ...
Authors:Xue, Y.
Deposit date:2006-03-16
Release date:2007-03-20
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Total synthesis and structural confirmation of chlorodysinosin A.
J.Am.Chem.Soc., 128, 2006
2GFV
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BU of 2gfv by Molmil
Structure of E. coli FabF (KASII) C163Q mutant
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006

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