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1MHW
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BU of 1mhw by Molmil
Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides
Descriptor: 4-biphenylacetyl-Cys-(D)Arg-Tyr-N-(2-phenylethyl) amide, Cathepsin L
Authors:Chowdhury, S, Sivaraman, J, Wang, J, Devanathan, G, Lachance, P, Qi, H, Menard, R, Lefebvre, J, Konishi, Y, Cygler, M, Sulea, T, Purisima, E.O.
Deposit date:2002-08-21
Release date:2002-12-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides
J.Med.Chem., 45, 2002
3H8C
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BU of 3h8c by Molmil
A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors (compound 14)
Descriptor: Cathepsin L1, N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
Authors:Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J.
Deposit date:2009-04-29
Release date:2009-10-20
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Combined Crystallographic and Molecular Dynamics Study of Cathepsin L Retrobinding Inhibitors
J.Med.Chem., 2009
3H8B
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BU of 3h8b by Molmil
A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9)
Descriptor: Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
Authors:Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J.
Deposit date:2009-04-29
Release date:2009-10-20
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors
J.Med.Chem., 52, 2009
3H89
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BU of 3h89 by Molmil
A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4)
Descriptor: Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide
Authors:Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J.
Deposit date:2009-04-29
Release date:2009-10-20
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors
J.Med.Chem., 52, 2009
3BC3
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BU of 3bc3 by Molmil
Exploring inhibitor binding at the S subsites of cathepsin L
Descriptor: Cathepsin L heavy and light chains, S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide
Authors:Chowdhury, S.F, Joseph, L, Kumar, S, Tulsidas, S.R, Bhat, S, Ziomek, E, Nard, R.M, Sivaraman, J, Purisima, E.O.
Deposit date:2007-11-12
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploring inhibitor binding at the S' subsites of cathepsin L
J.Med.Chem., 51, 2008
1QD1
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BU of 1qd1 by Molmil
THE CRYSTAL STRUCTURE OF THE FORMIMINOTRANSFERASE DOMAIN OF FORMIMINOTRANSFERASE-CYCLODEAMINASE.
Descriptor: FORMIMINOTRANSFERASE-CYCLODEAMINASE, GLYCEROL, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid
Authors:Kohls, D, Sulea, T, Purisima, E, MacKenzie, R.E, Vrielink, A.
Deposit date:1999-07-08
Release date:2000-01-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of the formiminotransferase domain of formiminotransferase-cyclodeaminase: implications for substrate channeling in a bifunctional enzyme.
Structure Fold.Des., 8, 2000
7KEZ
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BU of 7kez by Molmil
Crystal structure of bH1 Fab variant (CDR H3 loop design 16_0325) in complex with VEGF
Descriptor: CHLORIDE ION, Isoform L-VEGF206 of Vascular endothelial growth factor A, anti-VEGF-A Fab bH1 heavy chain, ...
Authors:Shi, R, Manenda, M.S, Picard, M.-E.
Deposit date:2020-10-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of bH1 Fab CDR H3 loop variants in apo form and in complex with VEGF
to be published
7KF1
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BU of 7kf1 by Molmil
Crystal structure of bH1 Fab variant (CDR H3 loop design 14_0130) in complex with VEGF
Descriptor: CHLORIDE ION, Isoform L-VEGF206 of Vascular endothelial growth factor A, anti-VEGF-A Fab bH1 heavy chain, ...
Authors:Shi, R, Picard, M.-E, Manenda, M.S.
Deposit date:2020-10-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of bH1 Fab CDR H3 loop variants in apo form and in complex with VEGF
to be published
7KF0
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BU of 7kf0 by Molmil
Crystal structure of bH1 Fab variant (CDR H3 loop design 13_0346) in complex with VEGF
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Isoform L-VEGF206 of Vascular endothelial growth factor A, ...
Authors:Shi, R, Picard, M.-E.
Deposit date:2020-10-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structure of bH1 Fab CDR H3 loop variants in apo form and in complex with VEGF
to be published
3HBN
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BU of 3hbn by Molmil
Crystal structure PseG-UDP complex from Campylobacter jejuni
Descriptor: CHLORIDE ION, GLYCEROL, UDP-sugar hydrolase, ...
Authors:Rangarajan, E.S, Proteau, A, Cygler, M, Matte, A, Sulea, T, Schoenhofen, I.C.
Deposit date:2009-05-04
Release date:2009-05-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and functional analysis of Campylobacter jejuni PseG: a udp-sugar hydrolase from the pseudaminic acid biosynthetic pathway.
J.Biol.Chem., 284, 2009
3CPT
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BU of 3cpt by Molmil
MP1-p14 Scaffolding complex
Descriptor: Mitogen-activated protein kinase kinase 1-interacting protein 1, Mitogen-activated protein-binding protein-interacting protein
Authors:Schrag, J.D, Cygler, M, Munger, C, Magloire, A.
Deposit date:2008-04-01
Release date:2008-07-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex.
J.Mol.Biol., 379, 2008
3HBM
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BU of 3hbm by Molmil
Crystal Structure of PseG from Campylobacter jejuni
Descriptor: SULFATE ION, UDP-sugar hydrolase
Authors:Rangarajan, E.S, Proteau, A, Cygler, M, Matte, A, Sulea, T, Schoenhofen, I.C.
Deposit date:2009-05-04
Release date:2009-05-26
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional analysis of Campylobacter jejuni PseG: a udp-sugar hydrolase from the pseudaminic acid biosynthetic pathway.
J.Biol.Chem., 284, 2009
6MXR
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BU of 6mxr by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M]
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Shi, R.
Deposit date:2018-10-31
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
3BE5
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BU of 3be5 by Molmil
Crystal structure of FitE (crystal form 1), a group III periplasmic siderophore binding protein
Descriptor: CHLORIDE ION, Putative iron compound-binding protein of ABC transporter family
Authors:Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2007-11-16
Release date:2008-10-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Trapping open and closed forms of FitE-A group III periplasmic binding protein.
Proteins, 75, 2008
6MY4
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BU of 6my4 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR]
Descriptor: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
Authors:Shi, R, Picard, M.-E, Manenda, M.
Deposit date:2018-11-01
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6MY5
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BU of 6my5 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M,LC-S30bR]
Descriptor: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
Authors:Shi, R.
Deposit date:2018-11-01
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6MXS
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BU of 6mxs by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M]
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Shi, R, Picard, M.-E, Manenda, M.S.
Deposit date:2018-10-31
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
3BE6
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BU of 3be6 by Molmil
Crystal structure of FitE (crystal form 2), a group III periplasmic siderophore binding protein
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2007-11-16
Release date:2008-10-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Trapping open and closed forms of FitE-A group III periplasmic binding protein.
Proteins, 75, 2008
2ZL1
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BU of 2zl1 by Molmil
MP1-p14 Scaffolding complex
Descriptor: Mitogen-activated protein kinase kinase 1-interacting protein 1, Mitogen-activated protein-binding protein-interacting protein
Authors:Schrag, J.D, Cygler, M, Munger, C, Magloire, A.
Deposit date:2008-04-02
Release date:2008-06-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex.
J.Mol.Biol., 379, 2008

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