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1OFI
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BU of 1ofi by Molmil
Asymmetric complex between HslV and I-domain deleted HslU (H. influenzae)
Descriptor: 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE, ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT HSL PROTEASE ATP-BINDING SUBUNIT HSLU, ...
Authors:Kwon, A.R, Kessler, B.M, Overkleeft, H.S, McKay, D.B.
Deposit date:2003-04-14
Release date:2003-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and Reactivity of an Asymmetric Complex between Hslv and I-Domain Deleted Hslu, a Prokaryotic Homolog of the Eukaryotic Proteasome
J.Mol.Biol., 330, 2003
1OFH
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BU of 1ofh by Molmil
Asymmetric complex between HslV and I-domain deleted HslU (H. influenzae)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT HSL PROTEASE ATP-BINDING SUBUNIT HSLU, ATP-DEPENDENT PROTEASE HSLV, ...
Authors:Kwon, A.R, Kessler, B.M, Overkleeft, H.S, McKay, D.B.
Deposit date:2003-04-14
Release date:2003-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Reactivity of an Asymmetric Complex between Hslv and I-Domain Deleted Hslu, a Prokaryotic Homolog of the Eukaryotic Proteasome
J.Mol.Biol., 330, 2003
5NGE
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BU of 5nge by Molmil
Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671
Descriptor: 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Turnbull, A.P, Krajewski, W.W, Ioannidis, S, Kessler, B.M, Komander, D.
Deposit date:2017-03-17
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
5NGF
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BU of 5ngf by Molmil
Crystal structure of USP7 in complex with the covalent inhibitor, FT827
Descriptor: 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 7, ~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide
Authors:Krajewski, W.W, Turnbull, A.P, Ioannidis, S, Kessler, B.M, Komander, D.
Deposit date:2017-03-17
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
4FJV
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BU of 4fjv by Molmil
Crystal Structure of Human Otubain2 and Ubiquitin Complex
Descriptor: ETHANAMINE, GLYCEROL, Polyubiquitin-C, ...
Authors:Altun, M, Walter, T.S, Kramer, H.B, Iphofer, A, David, Y, Komsany, A, Ternette, N, Nicholson, B, Navon, A, Stuart, D.I, Ren, J, Kessler, B.M.
Deposit date:2012-06-12
Release date:2013-06-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:The human otubain2-ubiquitin structure provides insights into the cleavage specificity of poly-ubiquitin-linkages.
Plos One, 10, 2015
1KYI
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BU of 1kyi by Molmil
HslUV (H. influenzae)-NLVS Vinyl Sulfone Inhibitor Complex
Descriptor: 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent hsl protease ATP-binding subunit hslU, ...
Authors:Sousa, M.C, Kessler, B.M, Overkleeft, H.S, McKay, D.B.
Deposit date:2002-02-04
Release date:2002-05-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of HslUV Complexed with a Vinyl Sulfone Inhibitor: Corroboration of a Proposed Mechanism of Allosteric Activation of HslV by HslU
J.Mol.Biol., 318, 2002
8EDE
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BU of 8ede by Molmil
Crystal structure of covalent inhibitor 2-chloro-N'-(N-(4-chlorophenyl)-N-methylglycyl)acetohydrazide bound to Ubiquitin C-terminal Hydrolase-L1
Descriptor: 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1
Authors:Patel, R, Imhoff, R, Flaherty, D, Das, C.
Deposit date:2022-09-04
Release date:2023-09-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Covalent Fragment Screening and Optimization Identifies the Chloroacetohydrazide Scaffold as Inhibitors for Ubiquitin C-terminal Hydrolase L1.
J.Med.Chem., 67, 2024
2XUM
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BU of 2xum by Molmil
FACTOR INHIBITING HIF (FIH) Q239H MUTANT IN COMPLEX WITH ZN(II), NOG AND ASP-SUBSTRATE PEPTIDE (20-MER)
Descriptor: ASP-SUBSTRATE PEPTIDE 2, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2010-10-19
Release date:2010-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Asparagine and aspartate hydroxylation of the cytoskeletal ankyrin family is catalyzed by factor-inhibiting hypoxia-inducible factor.
J. Biol. Chem., 286, 2011
8ATO
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BU of 8ato by Molmil
Structure of the giant inhibitor of apoptosis, BIRC6 bound to the regulator SMAC
Descriptor: Baculoviral IAP repeat-containing protein 6, Diablo IAP-binding mitochondrial protein
Authors:Dietz, L, Elliott, P.R.
Deposit date:2022-08-23
Release date:2023-03-08
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for SMAC-mediated antagonism of caspase inhibition by the giant ubiquitin ligase BIRC6.
Science, 379, 2023
8ATM
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BU of 8atm by Molmil
Structure of the giant inhibitor of apoptosis, BIRC6 (composite map)
Descriptor: Baculoviral IAP repeat-containing protein 6
Authors:Dietz, L, Elliott, P.R.
Deposit date:2022-08-23
Release date:2023-03-08
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for SMAC-mediated antagonism of caspase inhibition by the giant ubiquitin ligase BIRC6.
Science, 379, 2023
1XD3
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BU of 1xd3 by Molmil
Crystal structure of UCHL3-UbVME complex
Descriptor: MAGNESIUM ION, METHYL 4-AMINOBUTANOATE, UBC protein, ...
Authors:Misaghi, S, Galardy, P.J, Meester, W.J.N, Ovaa, H, Ploegh, H.L, Gaudet, R.
Deposit date:2004-09-03
Release date:2004-11-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the Ubiquitin Hydrolase UCH-L3 Complexed with a Suicide Substrate
J.Biol.Chem., 280, 2005
2Y34
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BU of 2y34 by Molmil
S-nitrosylated PHD2 (NO exposed) in complex with Fe(II) and UN9
Descriptor: EGL NINE HOMOLOG 1, FE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2010-12-18
Release date:2010-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Studies on the reaction of nitric oxide with the hypoxia-inducible factor prolyl hydroxylase domain 2 (EGLN1).
J. Mol. Biol., 410, 2011
2Y33
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BU of 2y33 by Molmil
S-nitrosylated PHD2 (GSNO soaked) in complex with Zn(II) and UN9
Descriptor: EGL NINE HOMOLOG 1, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ZINC ION
Authors:Chowdhury, R, Clifton, I.J, Schofield, C.J.
Deposit date:2010-12-18
Release date:2010-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Studies on the Reaction of Nitric Oxide with the Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 (Egln1)
J.Mol.Biol., 410, 2011
2Y0I
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BU of 2y0i by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER)
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2010-12-02
Release date:2011-02-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Factor-inhibiting hypoxia-inducible factor (FIH) catalyses the post-translational hydroxylation of histidinyl residues within ankyrin repeat domains.
FEBS J., 278, 2011
2YD0
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BU of 2yd0 by Molmil
Crystal structure of the soluble domain of human endoplasmic reticulum aminopeptidase 1 ERAP1
Descriptor: 1,2-ETHANEDIOL, 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vollmar, M, Kochan, G, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Raynor, J, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S.
Deposit date:2011-03-17
Release date:2011-04-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of the Endoplasmic Reticulum Aminopeptidase-1 (Erap1) Reveal the Molecular Basis for N-Terminal Peptide Trimming.
Proc.Natl.Acad.Sci.USA, 108, 2011
2ZFY
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BU of 2zfy by Molmil
Crystal structure of human Otubain 1
Descriptor: Ubiquitin thioesterase OTUB1
Authors:Akutsu, M, Walker, J.R, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-01-16
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural basis and specificity of human otubain 1-mediated deubiquitination.
Biochem.J., 418, 2009
5HES
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BU of 5hes by Molmil
Human leucine zipper- and sterile alpha motif-containing kinase (ZAK, MLT, HCCS-4, MRK, AZK, MLTK) in complex with vemurafenib
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase MLT, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
Authors:Mathea, S, Salah, E, Abdul Azeez, K.R, Tallant, C, Szklarz, M, Chaikuad, A, Shrestha, B, Sorrell, F.J, Elkins, J.M, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2016-01-06
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of the Human Protein Kinase ZAK in Complex with Vemurafenib.
Acs Chem.Biol., 11, 2016
2QC9
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BU of 2qc9 by Molmil
Mouse Notch 1 Ankyrin Repeat Intracellular Domain
Descriptor: Notch 1 protein
Authors:McDonough, M.A, Schofield, C.J.
Deposit date:2007-06-19
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Asparaginyl hydroxylation of the Notch ankyrin repeat domain by factor inhibiting hypoxia-inducible factor.
J.Biol.Chem., 282, 2007
5LJM
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BU of 5ljm by Molmil
Structure of SPATA2 PUB domain
Descriptor: GLYCEROL, Spermatogenesis-associated protein 2
Authors:Elliott, P.R, Komander, D.
Deposit date:2016-07-18
Release date:2016-08-24
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
5LJN
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BU of 5ljn by Molmil
Structure of the HOIP PUB domain bound to SPATA2 PIM peptide
Descriptor: E3 ubiquitin-protein ligase RNF31, GLYCEROL, SULFATE ION, ...
Authors:Elliott, P.R, Komander, D.
Deposit date:2016-07-18
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
5NFO
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BU of 5nfo by Molmil
Human JMJD7 in complex with Mn and 2OG in the P21212 form
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, JmjC domain-containing protein 7, ...
Authors:Chowdhury, R, Markolovic, S, Schofield, C.J.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.173 Å)
Cite:(3S)-Lysyl hydroxylation of TRAFAC GTPases is catalyzed by the human Jumonji-C oxygenase JMJD7.
To Be Published
5NFN
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BU of 5nfn by Molmil
JMJD7 IN COMPLEX WITH MN AND 2OG IN THE H32 FORM
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, JmjC domain-containing protein 7, ...
Authors:Chowdhury, R, Markolovic, S, Schofield, C.J.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.982 Å)
Cite:(3S)-Lysyl hydroxylation of TRAFAC GTPases is catalyzed by the human Jumonji-C oxygenase JMJD7.
To Be Published
5OE7
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BU of 5oe7 by Molmil
Structure of OTULIN bound to the Met1-linked diubiquitin activity probe
Descriptor: Polyubiquitin-C, Ubiquitin thioesterase otulin
Authors:Elliott, P.R, Komander, D.
Deposit date:2017-07-07
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A Linear Diubiquitin-Based Probe for Efficient and Selective Detection of the Deubiquitinating Enzyme OTULIN.
Cell Chem Biol, 24, 2017
5O2D
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BU of 5o2d by Molmil
PARP14 Macrodomain 2 with inhibitor
Descriptor: Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide
Authors:Uth, K, Schuller, M, Sieg, C, Wang, J, Krojer, T, Knapp, S, Riedels, K, Bracher, F, Edwards, A.M, Arrowsmith, C, Bountra, C, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2017-05-20
Release date:2017-11-08
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14.
ACS Chem. Biol., 12, 2017
6SAK
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BU of 6sak by Molmil
Structure of the OTULINcat C129A - SNX27 PDZ domain complex.
Descriptor: GLYCEROL, SULFATE ION, Sorting nexin-27, ...
Authors:Elliott, P.R, Komander, D.
Deposit date:2019-07-17
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Regulation of the endosomal SNX27-retromer by OTULIN.
Nat Commun, 10, 2019

 

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