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1M47
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BU of 1m47 by Molmil
Crystal Structure of Human Interleukin-2
Descriptor: SULFATE ION, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, Wells, J.A, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface.
Proc.Natl.Acad.Sci.USA, 100, 2003
1M4C
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BU of 1m4c by Molmil
Crystal Structure of Human Interleukin-2
Descriptor: interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M49
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BU of 1m49 by Molmil
Crystal Structure of Human Interleukin-2 Complexed with SP-1985
Descriptor: 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1F4B
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BU of 1f4b by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE
Descriptor: GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
Deposit date:2000-06-07
Release date:2000-06-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4F
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BU of 1f4f by Molmil
CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-722
Descriptor: 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE, SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
Deposit date:2000-06-07
Release date:2000-06-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4G
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BU of 1f4g by Molmil
CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-876
Descriptor: GLYCEROL, N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID, SULFATE ION, ...
Authors:Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
Deposit date:2000-06-07
Release date:2000-06-22
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4C
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BU of 1f4c by Molmil
CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COVALENTLY MODIFIED AT C146 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL
Descriptor: GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ...
Authors:Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
Deposit date:2000-06-07
Release date:2000-06-22
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4E
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BU of 1f4e by Molmil
CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH TOSYL-D-PROLINE
Descriptor: GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE, ...
Authors:Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
Deposit date:2000-06-07
Release date:2000-06-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1FVC
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BU of 1fvc by Molmil
X-RAY STRUCTURES OF THE ANTIGEN-BINDING DOMAINS FROM THREE VARIANTS OF HUMANIZED ANTI-P185-HER2 ANTIBODY 4D5 AND COMPARISON WITH MOLECULAR MODELING
Descriptor: IGG1-KAPPA 4D5 FV (HEAVY CHAIN), IGG1-KAPPA 4D5 FV (LIGHT CHAIN)
Authors:Eigenbrot, C, Randal, M, Kossiakoff, A.A, Presta, L.
Deposit date:1992-10-20
Release date:1993-10-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structures of the antigen-binding domains from three variants of humanized anti-p185HER2 antibody 4D5 and comparison with molecular modeling.
J.Mol.Biol., 229, 1993
1FVD
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BU of 1fvd by Molmil
X-RAY STRUCTURES OF THE ANTIGEN-BINDING DOMAINS FROM THREE VARIANTS OF HUMANIZED ANTI-P185-HER2 ANTIBODY 4D5 AND COMPARISON WITH MOLECULAR MODELING
Descriptor: IGG1-KAPPA 4D5 FAB (HEAVY CHAIN), IGG1-KAPPA 4D5 FAB (LIGHT CHAIN)
Authors:Eigenbrot, C, Presta, L, Randal, M, Kossiakoff, A.A.
Deposit date:1992-10-20
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structures of the antigen-binding domains from three variants of humanized anti-p185HER2 antibody 4D5 and comparison with molecular modeling.
J.Mol.Biol., 229, 1993
1FVE
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BU of 1fve by Molmil
X-RAY STRUCTURES OF THE ANTIGEN-BINDING DOMAINS FROM THREE VARIANTS OF HUMANIZED ANTI-P185-HER2 ANTIBODY 4D5 AND COMPARISON WITH MOLECULAR MODELING
Descriptor: IGG1-KAPPA 4D5 FAB (HEAVY CHAIN), IGG1-KAPPA 4D5 FAB (LIGHT CHAIN)
Authors:Eigenbrot, C, Randal, M, Presta, L, Kossiakoff, A.A.
Deposit date:1992-10-20
Release date:1993-10-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray structures of the antigen-binding domains from three variants of humanized anti-p185HER2 antibody 4D5 and comparison with molecular modeling.
J.Mol.Biol., 229, 1993
1F4D
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BU of 1f4d by Molmil
CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE C146S, L143C COVALENTLY MODIFIED AT C143 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL
Descriptor: GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ...
Authors:Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
Deposit date:2000-06-07
Release date:2000-06-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
8PTI
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BU of 8pti by Molmil
CRYSTAL STRUCTURE OF A Y35G MUTANT OF BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Housset, D, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
Deposit date:1990-12-17
Release date:1991-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a Y35G mutant of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 220, 1991
3IEJ
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BU of 3iej by Molmil
Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements
Descriptor: 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol, Cathepsin S
Authors:Bembenek, S.
Deposit date:2009-07-22
Release date:2009-10-06
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements.
Bioorg.Med.Chem.Lett., 19, 2009
1BTI
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BU of 1bti by Molmil
CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Housset, D, Tao, F, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
Deposit date:1991-07-11
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
1BPT
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BU of 1bpt by Molmil
CREVICE-FORMING MUTANTS OF BPTI: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
Authors:Housset, D, Wlodawer, A, Tao, F, Fuchs, J, Woodward, C.
Deposit date:1991-12-11
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
1NAG
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BU of 1nag by Molmil
CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
Authors:Danishefsky, A.T, Wlodawer, A, Kim, K.-S, Tao, F, Woodward, C.
Deposit date:1992-08-18
Release date:1993-10-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
1FAN
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BU of 1fan by Molmil
CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Danishefsky, A.T, Wlodawer, A, Kim, K.-S, Tao, F, Woodward, C.
Deposit date:1992-08-21
Release date:1993-10-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
9PTI
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BU of 9pti by Molmil
BASIC PANCREATIC TRYPSIN INHIBITOR (MET 52 OXIDIZED)
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
Authors:Eigenbrot, C, Randal, M, Kossiakoff, A.A.
Deposit date:1991-04-08
Release date:1992-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:

2ZJM
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BU of 2zjm by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide
Descriptor: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
Authors:Allison, T.J, Pham, P, Romanowski, M.J, Munshi, S.K.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
1TAW
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BU of 1taw by Molmil
BOVINE TRYPSIN COMPLEXED TO APPI
Descriptor: CALCIUM ION, PROTEASE INHIBITOR DOMAIN OF ALZHEIMER'S AMYLOID BETA-PROTEIN PRECURSOR, TRYPSIN
Authors:Hynes, T.R, Kossiakoff, A.A.
Deposit date:1996-12-19
Release date:1997-06-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of bovine chymotrypsin and trypsin complexed to the inhibitor domain of Alzheimer's amyloid beta-protein precursor (APPI) and basic pancreatic trypsin inhibitor (BPTI): engineering of inhibitors with altered specificities.
Protein Sci., 6, 1997
1BRC
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BU of 1brc by Molmil
RELOCATING A NEGATIVE CHARGE IN THE BINDING POCKET OF TRYPSIN
Descriptor: AMYLOID BETA-PROTEIN PRECURSOR INHIBITOR DOMAIN (APPI), TRYPSIN
Authors:Perona, J.J, Fletterick, R.J.
Deposit date:1992-12-17
Release date:1994-05-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Relocating a negative charge in the binding pocket of trypsin.
J.Mol.Biol., 230, 1993
1CA0
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BU of 1ca0 by Molmil
BOVINE CHYMOTRYPSIN COMPLEXED TO APPI
Descriptor: BOVINE CHYMOTRYPSIN, PROTEASE INHIBITOR DOMAIN OF ALZHEIMER'S AMYLOID BETA-PROTEIN PRECURSOR
Authors:Scheidig, A.J, Kossiakoff, A.A.
Deposit date:1997-01-23
Release date:1997-07-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of bovine chymotrypsin and trypsin complexed to the inhibitor domain of Alzheimer's amyloid beta-protein precursor (APPI) and basic pancreatic trypsin inhibitor (BPTI): engineering of inhibitors with altered specificities.
Protein Sci., 6, 1997
1CBW
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BU of 1cbw by Molmil
BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI
Descriptor: BOVINE CHYMOTRYPSIN, BPTI, SULFATE ION
Authors:Hynes, T.R, Scheidig, A.J, Kossiakoff, A.A.
Deposit date:1996-12-22
Release date:1997-07-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of bovine chymotrypsin and trypsin complexed to the inhibitor domain of Alzheimer's amyloid beta-protein precursor (APPI) and basic pancreatic trypsin inhibitor (BPTI): engineering of inhibitors with altered specificities.
Protein Sci., 6, 1997
6BX9
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BU of 6bx9 by Molmil
Solution structure of conotoxin reg3b
Descriptor: Conotoxin
Authors:Mari, F, Dovell, S.
Deposit date:2017-12-18
Release date:2018-01-24
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structural plasticity of mini-M conotoxins - expression of all mini-M subtypes by Conus regius.
FEBS J., 285, 2018
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