1ETB
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![BU of 1etb by Molmil](/molmil-images/mine/1etb) | 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
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2OLB
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![BU of 2olb by Molmil](/molmil-images/mine/2olb) | 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
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5VSB
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![BU of 5vsb by Molmil](/molmil-images/mine/5vsb) | 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
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5VS6
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![BU of 5vs6 by Molmil](/molmil-images/mine/5vs6) | 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
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5VR9
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![BU of 5vr9 by Molmil](/molmil-images/mine/5vr9) | 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
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5VSH
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![BU of 5vsh by Molmil](/molmil-images/mine/5vsh) | 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
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5W4Q
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![BU of 5w4q by Molmil](/molmil-images/mine/5w4q) | |
5VSK
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![BU of 5vsk by Molmil](/molmil-images/mine/5vsk) | 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
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5W4P
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![BU of 5w4p by Molmil](/molmil-images/mine/5w4p) | |
5W4W
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![BU of 5w4w by Molmil](/molmil-images/mine/5w4w) | |
5W4O
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![BU of 5w4o by Molmil](/molmil-images/mine/5w4o) | |
5W89
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![BU of 5w89 by Molmil](/molmil-images/mine/5w89) | 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
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5WHZ
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![BU of 5whz by Molmil](/molmil-images/mine/5whz) | 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
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5W8F
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![BU of 5w8f by Molmil](/molmil-images/mine/5w8f) | 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
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5WB1
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![BU of 5wb1 by Molmil](/molmil-images/mine/5wb1) | |
5WO4
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![BU of 5wo4 by Molmil](/molmil-images/mine/5wo4) | 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
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1JEU
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![BU of 1jeu by Molmil](/molmil-images/mine/1jeu) | 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
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1JEV
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![BU of 1jev by Molmil](/molmil-images/mine/1jev) | 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
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1JET
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![BU of 1jet by Molmil](/molmil-images/mine/1jet) | 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
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2FXR
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![BU of 2fxr by Molmil](/molmil-images/mine/2fxr) | 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
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2GFX
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2GFW
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![BU of 2gfw by Molmil](/molmil-images/mine/2gfw) | |
2GFY
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![BU of 2gfy by Molmil](/molmil-images/mine/2gfy) | |
2GDE
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![BU of 2gde by Molmil](/molmil-images/mine/2gde) | 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
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2GFV
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![BU of 2gfv by Molmil](/molmil-images/mine/2gfv) | |