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6XVJ
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BU of 6xvj by Molmil
Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-22
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
4XZ1
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BU of 4xz1 by Molmil
ZAP-70-tSH2:Compound-B adduct
Descriptor: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol, Tyrosine-protein kinase ZAP-70, doubly phosphorylated ITAM peptide
Authors:Barros, T, Kuriyan, J, Winger, J.A, Visperas, P.R.
Deposit date:2015-02-03
Release date:2015-07-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding.
Biochem. J., 465, 2015
6CMH
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BU of 6cmh by Molmil
SYNTHETIC LINEAR MODIFIED ENDOTHELIN-1 AGONIST
Descriptor: PROTEIN (ENDOTHELIN-1)
Authors:Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H.
Deposit date:1998-09-03
Release date:1999-09-29
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling.
J.Pept.Res., 53, 1999
4ZXU
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BU of 4zxu by Molmil
2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
Descriptor: Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-05-20
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289.
To be Published
4K38
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BU of 4k38 by Molmil
Native anSMEcpe with bound AdoMet and Kp18Cys peptide
Descriptor: Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, GLYCEROL, ...
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2013-04-10
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
5B23
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BU of 5b23 by Molmil
X-ray Structure of Clostridium Perfringens Sortase B
Descriptor: Uncharacterized protein Sortase B
Authors:Kamitori, S, Yoshida, H, Tamai, E.
Deposit date:2015-12-28
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structure of Clostridium perfringens sortase B cysteine transpeptidase
Biochem. Biophys. Res. Commun., 493, 2017
4FKD
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BU of 4fkd by Molmil
Identification of the Activator Binding Residues in the Second Cysteine-Rich Regulatory Domain of Protein Kinase C Theta
Descriptor: Protein kinase C theta type, ZINC ION
Authors:Rahman, G.M, Shanker, S, Lewin, N.E, Prasad, B.V.V, Blumberg, P.M, Das, J.
Deposit date:2012-06-13
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.633 Å)
Cite:Identification of the Activator Binding Residues in the Second Cysteine-Rich Regulatory Domain of Protein Kinase C Theta.
Biochem.J., 451, 2013
3UGD
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BU of 3ugd by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Protein kinase C delta type, ...
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-02
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
6XV9
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BU of 6xv9 by Molmil
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor
Descriptor: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-21
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
4K39
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BU of 4k39 by Molmil
Native anSMEcpe with bound AdoMet and Cp18Cys peptide
Descriptor: Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, Cp18Cys peptide, ...
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2013-04-10
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
1C0N
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BU of 1c0n by Molmil
CSDB PROTEIN, NIFS HOMOLOGUE
Descriptor: ACETIC ACID, PROTEIN (CSDB PROTEIN), PYRIDOXAL-5'-PHOSPHATE
Authors:Fujii, T, Maeda, M, Mihara, H, Kurihara, T, Esaki, N, Hata, Y.
Deposit date:1999-07-17
Release date:2000-07-17
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a NifS homologue: X-ray structure analysis of CsdB, an Escherichia coli counterpart of mammalian selenocysteine lyase
Biochemistry, 39, 2000
6KW0
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BU of 6kw0 by Molmil
The structure of EanB/Y353F-Cys412-persulfide in tetrahedral intermediate state with ergothioneine
Descriptor: BROMIDE ION, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-09-05
Release date:2020-09-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of EanB/Y353F-Cys412-persulfide in tetrahedral intermediate state with ergothioneine
To Be Published
7LHC
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BU of 7lhc by Molmil
NMR Solution Structure of [T20K]kalata B1
Descriptor: Kalata-B1
Authors:Harvey, P.J, Craik, D.J, Gruber, C.W.
Deposit date:2021-01-22
Release date:2021-10-20
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Importance of the Cyclic Cystine Knot Structural Motif for Immunosuppressive Effects of Cyclotides.
Acs Chem.Biol., 16, 2021
6P7I
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BU of 6p7i by Molmil
Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound
Descriptor: GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ...
Authors:Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2019-06-05
Release date:2019-06-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor
J.Med.Chem., 63, 2020
3PW3
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BU of 3pw3 by Molmil
Crystal structure of a cysteine protease (BDI_2249) from Parabacteroides distasonis ATCC 8503 at 2.23 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aminopeptidase C, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-12-07
Release date:2010-12-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of a cysteine protease (BDI_2249) from Parabacteroides distasonis ATCC 8503 at 2.23 A resolution
To be published
2VU0
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BU of 2vu0 by Molmil
Biosynthetic thiolase from Z. ramigera. Complex of the oxidised enzyme with coenzyme A.
Descriptor: Acetyl-CoA acetyltransferase, COENZYME A, GLYCEROL, ...
Authors:Kursula, P, Wierenga, R.K.
Deposit date:2008-05-19
Release date:2008-10-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The sulfur atoms of the substrate CoA and the catalytic cysteine are required for a productive mode of substrate binding in bacterial biosynthetic thiolase, a thioester-dependent enzyme.
FEBS J., 275, 2008
4ZWL
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BU of 4zwl by Molmil
2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
Descriptor: Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-05-19
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
To be Published
3O98
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BU of 3o98 by Molmil
Glutathionylspermidine synthetase/amidase C59A complex with ADP and Gsp
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, GLUTATHIONYLSPERMIDINE, ...
Authors:Pai, C.H, Lin, C.H, Wang, A.H.-J.
Deposit date:2010-08-04
Release date:2011-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and mechanism of Escherichia coli glutathionylspermidine amidase belonging to the family of cysteine; histidine-dependent amidohydrolases/peptidases
Protein Sci., 20, 2011
2VU1
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BU of 2vu1 by Molmil
Biosynthetic thiolase from Z. ramigera. Complex of with O-pantheteine- 11-pivalate.
Descriptor: ACETYL-COA ACETYLTRANSFERASE, PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID, SODIUM ION, ...
Authors:Kursula, P, Schmitz, W, Wierenga, R.K.
Deposit date:2008-05-19
Release date:2008-10-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The Sulfur Atoms of the Substrate Coa and the Catalytic Cysteine are Required for a Productive Mode of Substrate Binding in Bacterial Biosynthetic Thiolase, a Thioester-Dependent Enzyme.
FEBS J., 275, 2008
2RPJ
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BU of 2rpj by Molmil
Solution structure of Fn14 CRD domain
Descriptor: Tumor necrosis factor receptor superfamily member 12A
Authors:He, F, Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-05-19
Release date:2009-03-24
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Solution structure of the cysteine-rich domain in Fn14, a member of the tumor necrosis factor receptor superfamily
Protein Sci., 18, 2009
9CLH
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BU of 9clh by Molmil
X-ray diffraction structure of the apo form of papain
Descriptor: METHANOL, Papain
Authors:Vlahakis, N.W, Rodriguez, J.A.
Deposit date:2024-07-11
Release date:2025-06-04
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enzymatic combinatorial synthesis of E-64 and related cysteine protease inhibitors.
Nat.Chem.Biol., 2025
1I29
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BU of 1i29 by Molmil
CRYSTAL STRUCTURE OF CSDB COMPLEXED WITH L-PROPARGYLGLYCINE
Descriptor: (2S)-2-aminobut-3-ynoic acid, CSDB, PYRIDOXAL-5'-PHOSPHATE
Authors:Mihara, H, Fujii, T, Kurihara, T, Hata, Y, Esaki, N.
Deposit date:2001-02-07
Release date:2003-07-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of external aldimine of Escherichia coli CsdB, an IscS/NifS homolog: implications for its specificity toward selenocysteine.
J.BIOCHEM.(TOKYO), 131, 2002
6B2O
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BU of 6b2o by Molmil
LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, C176A variant
Descriptor: ATP-utilizing enzyme of the PP-loopsuperfamily, PHOSPHATE ION, SULFATE ION
Authors:Fellner, M, Hausinger, R.P, Hu, J.
Deposit date:2017-09-20
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Analysis of the Active Site Cysteine Residue of the Sacrificial Sulfur Insertase LarE from Lactobacillus plantarum.
Biochemistry, 57, 2018
4GLY
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BU of 4gly by Molmil
Human urokinase-type plasminogen activator uPA in complex with the two-disulfide bridge peptide UK504
Descriptor: BICYCLIC PEPTIDE INHIBITOR UK504, CHLORIDE ION, GLYCEROL, ...
Authors:Buth, S.A, Leiman, P.G, Chen, S, Heinis, C.
Deposit date:2012-08-15
Release date:2013-05-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.518 Å)
Cite:Bicyclic Peptide Ligands Pulled out of Cysteine-Rich Peptide Libraries.
J.Am.Chem.Soc., 135, 2013
1W66
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BU of 1w66 by Molmil
Structure of a lipoate-protein ligase b from Mycobacterium tuberculosis
Descriptor: DECANOIC ACID, LIPOYLTRANSFERASE
Authors:Ma, Q, Wilmanns, M.
Deposit date:2004-08-13
Release date:2005-12-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The Mycobacterium Tuberculosis Lipb Enzyme Functions as a Cysteine/Lysine Dyad Acyltransferase.
Proc.Natl.Acad.Sci.USA, 103, 2006

238582

數據於2025-07-09公開中

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