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3V55
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BU of 3v55 by Molmil
Human MALT1 (334-719) in its ligand free form
Descriptor: Mucosa-associated lymphoid tissue lymphoma translocation protein 1
Authors:Renatus, M, Wiesmann, C.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural Determinants of MALT1 Protease Activity.
J.Mol.Biol., 419, 2012
1QUR
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BU of 1qur by Molmil
HUMAN ALPHA-THROMBIN IN COMPLEX WITH BIVALENT, BENZAMIDINE-BASED SYNTHETIC INHIBITOR
Descriptor: BIVALENT INHIBITOR (BZA-2 HIRULOG), HUMAN THROMBIN (ALPHA CHAIN), HUMAN THROMBIN (BETA CHAIN)
Authors:Renatus, M, Steinmetzer, T.
Deposit date:1999-07-02
Release date:1999-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and evaluation of novel bivalent thrombin inhibitors based on amidinophenylalanines.
Eur.J.Biochem., 265, 1999
8OOD
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BU of 8ood by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 15
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DDB1- and CUL4-associated factor 1, ...
Authors:Schroeder, M, Renatus, M.
Deposit date:2023-04-05
Release date:2023-05-24
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Reinstating targeted protein degradation with DCAF1 PROTACs in CRBN PROTAC resistant settings
Biorxiv, 2023
2WDP
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BU of 2wdp by Molmil
Crystal Structure of Ligand Free Human Caspase-6
Descriptor: CASPASE-6, PHOSPHATE ION
Authors:Baumgartner, R, Briand, C, Meder, G, Morse, R, Renatus, M.
Deposit date:2009-03-25
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration.
Biochem.J., 423, 2009
2FOM
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BU of 2fom by Molmil
Dengue Virus NS2B/NS3 Protease
Descriptor: CHLORIDE ION, GLYCEROL, polyprotein
Authors:Schiering, N, Kroemer, M, Renatus, M, Erbel, P, D'Arcy, A.
Deposit date:2006-01-13
Release date:2006-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for the activation of flaviviral NS3 proteases from dengue and West Nile virus.
Nat.Struct.Mol.Biol., 13, 2006
1XB0
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BU of 1xb0 by Molmil
Structure of the BIR domain of IAP-like protein 2
Descriptor: Baculoviral IAP repeat-containing protein 8, Diablo homolog, mitochondrial, ...
Authors:Shin, H, Renatus, M, Eckelman, B.P, Nunes, V.A, Sampaio, C.A.M, Salvesen, G.S.
Deposit date:2004-08-27
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The BIR domain of IAP-like protein 2 is conformationally unstable: implications for caspase inhibition
Biochem.J., 385, 2005
1XB1
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BU of 1xb1 by Molmil
The Structure of the BIR domain of IAP-like protein 2
Descriptor: Baculoviral IAP repeat-containing protein 8, Diablo homolog, mitochondrial, ...
Authors:Shin, H, Renatus, M, Eckelman, B.P, Nunes, V.A, Sampaio, C.A.M, Salvesen, G.S.
Deposit date:2004-08-27
Release date:2004-11-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The BIR domain of IAP-like protein 2 is conformationally unstable: implications for caspase inhibition
Biochem.J., 385, 2005
8OG5
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BU of 8og5 by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1
Descriptor: 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, ...
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OG6
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BU of 8og6 by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1
Descriptor: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, DDB1- and CUL4-associated factor 1
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OG8
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BU of 8og8 by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 3
Descriptor: 1,2-ETHANEDIOL, 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline, ACETATE ION, ...
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OGC
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BU of 8ogc by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 11
Descriptor: 1,2-ETHANEDIOL, 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone, ACETATE ION, ...
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OG7
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BU of 8og7 by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 2
Descriptor: (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OG9
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BU of 8og9 by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 4
Descriptor: 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.945 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OGA
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BU of 8oga by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6
Descriptor: 1,2-ETHANEDIOL, 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1, ...
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OGB
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BU of 8ogb by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 8
Descriptor: 1,2-ETHANEDIOL, DDB1- and CUL4-associated factor 1, DIMETHYL SULFOXIDE, ...
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OO5
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BU of 8oo5 by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 13
Descriptor: 1,2-ETHANEDIOL, 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone, DDB1- and CUL4-associated factor 1
Authors:Schroeder, M, Renatus, M.
Deposit date:2023-04-04
Release date:2023-05-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Reinstating targeted protein degradation with DCAF1 PROTACs in CRBN PROTAC resistant settings
Biorxiv, 2023
1J7N
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BU of 1j7n by Molmil
Anthrax Toxin Lethal factor
Descriptor: Lethal Factor precursor, SULFATE ION, ZINC ION
Authors:Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C.
Deposit date:2001-05-17
Release date:2001-11-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the anthrax lethal factor.
Nature, 414, 2001
1JKY
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BU of 1jky by Molmil
Crystal Structure of the Anthrax Lethal Factor (LF): Wild-type LF Complexed with the N-terminal Sequence of MAPKK2
Descriptor: Lethal Factor, mitogen-activated protein kinase kinase 2
Authors:Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C.
Deposit date:2001-07-13
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Crystal structure of the anthrax lethal factor.
Nature, 414, 2001
1I3O
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BU of 1i3o by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF XIAP-BIR2 AND CASPASE 3
Descriptor: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, CASPASE 3, ZINC ION
Authors:Riedl, S.J, Renatus, M, Schwarzenbacher, R, Zhou, Q, Sun, C, Fesik, S.W, Liddington, R.C, Salvesen, G.S.
Deposit date:2001-02-15
Release date:2001-03-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the inhibition of caspase-3 by XIAP.
Cell(Cambridge,Mass.), 104, 2001
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
1PMC
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BU of 1pmc by Molmil
PROTEINASE INHIBITOR PMP-C (NMR, 36 STRUCTURES)
Descriptor: PROTEINASE INHIBITOR PMP-C
Authors:Mer, G, Hietter, H, Lefevre, J.-F.
Deposit date:1995-09-17
Release date:1996-01-29
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of PMP-C: a new fold in the group of small serine proteinase inhibitors.
J.Mol.Biol., 258, 1996
1GQF
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BU of 1gqf by Molmil
Crystal structure of human procaspase-7
Descriptor: Caspase-7, SULFATE ION
Authors:Riedl, S, Bode, W, Fuentes-Prior, P.
Deposit date:2001-11-23
Release date:2002-01-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the activation of human procaspase-7.
Proc. Natl. Acad. Sci. U.S.A., 98, 2001
6USY
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BU of 6usy by Molmil
COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936
Descriptor: 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain
Authors:Weihofen, W.A, Clark, K, Nunes, S.
Deposit date:2019-10-28
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6GVW
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BU of 6gvw by Molmil
Crystal structure of the BRCA1-A complex
Descriptor: BRCA1-A complex subunit Abraxas 1, BRCA1-A complex subunit RAP80, BRISC and BRCA1-A complex member 1, ...
Authors:Bunker, R.D, Rabl, J, Thoma, N.H.
Deposit date:2018-06-21
Release date:2019-07-10
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Structural Basis of BRCC36 Function in DNA Repair and Immune Regulation.
Mol.Cell, 75, 2019
6H3C
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BU of 6h3c by Molmil
Cryo-EM structure of the BRISC complex bound to SHMT2
Descriptor: BRISC and BRCA1-A complex member 1, BRISC and BRCA1-A complex member 2, BRISC complex subunit Abraxas 2, ...
Authors:Bunker, R.D, Rabl, J, Thoma, N.H.
Deposit date:2018-07-18
Release date:2019-07-10
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural Basis of BRCC36 Function in DNA Repair and Immune Regulation.
Mol.Cell, 75, 2019

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