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1HYP	CRYSTAL STRUCTURE OF HYDROPHOBIC PROTEIN FROM SOYBEAN; A MEMBER OF A NEW CYSTINE-RICH FAMILY Descriptor: HYDROPHOBIC PROTEIN FROM SOYBEAN Authors: Lehmann, M.S. Deposit date: 1993-02-05 Release date: 1993-04-15 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of hydrophobic protein from soybean; a member of a new cysteine-rich family. J.Mol.Biol., 231, 1993
5JCW	Crystal Structure of hGSTP1-1 with Glutathione Adduct of Phenethyl Isothiocyanate Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... Authors: Kumari, V, Ji, X. Deposit date: 2016-04-15 Release date: 2016-10-12 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.945 Å) Cite: Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical. Plos One, 11, 2016
6XPB	Structure of human GGT1 in complex with 2-amino-4-(((1-((carboxymethyl)amino)-1-oxobutan-2-yl)oxy)(phenoxy)phosphoryl)butanoic acid (ACPB) molecule Descriptor: 2,2-diamino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... Authors: Terzyan, S.S, Hanigan, M.H. Deposit date: 2020-07-08 Release date: 2020-11-25 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Crystal structures of glutathione- and inhibitor-bound human GGT1: critical interactions within the cysteinylglycine binding site. J.Biol.Chem., 296, 2020
8QMM	M291I variant of the [FeFe]-hydrogenase maturase HydE from Thermotoga maritima Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ... Authors: Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y. Deposit date: 2023-09-23 Release date: 2023-11-22 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE. Angew.Chem.Int.Ed.Engl., 62, 2023
8QML	(2R,4R)-MeTDA bound HydE structure (control experiment) Descriptor: (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... Authors: Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y. Deposit date: 2023-09-22 Release date: 2023-11-22 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE. Angew.Chem.Int.Ed.Engl., 62, 2023
6P3O	Tetrahydroprotoberberine N-methyltransferase in complex with (S)-cis-N-methylstylopine and S-adenosylhomocysteine Descriptor: (5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium, S-ADENOSYL-L-HOMOCYSTEINE, Tetrahydroprotoberberine N-methyltransferase Authors: Lang, D.E, Morris, J.S, Rowley, M, Torres, M.A, Maksimovich, V.A, Facchini, P.J, Ng, K.K.S. Deposit date: 2019-05-24 Release date: 2019-08-14 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure-function studies of tetrahydroprotoberberineN-methyltransferase reveal the molecular basis of stereoselective substrate recognition. J.Biol.Chem., 294, 2019
8T0S	Crystal structure of UBE2G2 adduct with phenethyl isothiocyanate (PEITC) at the Cys48 position Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase AMFR, Ubiquitin-conjugating enzyme E2 G2 Authors: Wang, C, Shaw, G.X, Shi, G, Ji, X. Deposit date: 2023-06-01 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal structure of UBE2G2 adduct with phenethyl isothiocyanate (PEITC) at the Cys48 position To be published
4G35	Mcl-1 in complex with a biphenyl cross-linked Noxa peptide. Descriptor: 4,4'-bis(bromomethyl)biphenyl, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Noxa BH3 peptide (cysteine-mediated cross-linked) Authors: Drake, E, Edwardraja, S, Lin, Q, Gulick, A.M. Deposit date: 2012-07-13 Release date: 2012-12-05 Last modified: 2024-11-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Rational design of proteolytically stable, cell-permeable peptide-based selective Mcl-1 inhibitors. J.Am.Chem.Soc., 134, 2012
4IMA	The structure of C436M-hLPYK in complex with Citrate/Mn/ATP/Fru-1,6-BP Descriptor: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ... Authors: Zhang, B, Holyoak, T, Fenton, A.W, Tang, Q.L, Prasannan, C.B, Deng, J.P. Deposit date: 2013-01-02 Release date: 2013-01-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.954 Å) Cite: Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase. Biochemistry, 52, 2013
1R1O	Amino Acid Sulfonamides as Transition-State Analogue Inhibitors of Arginase Descriptor: Arginase 1, MANGANESE (II) ION, S-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINE Authors: Cama, E, Shin, H, Christianson, D.W. Deposit date: 2003-09-24 Release date: 2003-10-28 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Design of Amino Acid Sulfonamides as Transition-State Analogue Inhibitors of Arginase J.Am.Chem.Soc., 125, 2003
2ZKN	X-ray structure of mutant galectin-1/lactose complex Descriptor: Galectin-1, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose Authors: Abe, A, Yoshida, H, Kamitori, S. Deposit date: 2008-03-26 Release date: 2008-09-30 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Functional and structural bases of a cysteine-less mutant as a long-lasting substitute for galectin-1 Glycobiology, 18, 2008
6PAJ	Structure of the SrrAB Histidine Kinase DHp-CA domain Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Sensor protein SrrB Authors: Lopez Redondo, M.L, Marina Moreno, A. Deposit date: 2019-06-11 Release date: 2020-04-22 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2 Å) Cite: The SrrAB two-component system regulatesStaphylococcus aureuspathogenicity through redox sensitive cysteines. Proc.Natl.Acad.Sci.USA, 117, 2020
7POY	Spin labeled IPNS S55C variant in complex with Fe, ACV and NO Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... Authors: Rabe, P, Clifton, I, Walla, C, Schofield, C.J. Deposit date: 2021-09-10 Release date: 2022-07-20 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Spectroscopic studies reveal details of substrate-induced conformational changes distant from the active site in isopenicillin N synthase. J.Biol.Chem., 298, 2022
3OIN	Crystal structure of Saccharomyces cerevisiae Nep1/Emg1 bound to S-adenosylhomocysteine and 1 molecule of cognate RNA Descriptor: 5'-R(*GP*GP*GP*CP*UP*UP*CP*AP*AP*CP*GP*CP*CP*C)-3', CHLORIDE ION, GLYCEROL, ... Authors: Thomas, S.R, LaRonde-LeBlanc, N. Deposit date: 2010-08-19 Release date: 2010-12-01 Last modified: 2024-11-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural insight into the functional mechanism of Nep1/Emg1 N1-specific pseudouridine methyltransferase in ribosome biogenesis. Nucleic Acids Res., 39, 2011
5KPG	Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7 Descriptor: Pavine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE Authors: Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. Deposit date: 2016-07-04 Release date: 2016-09-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism. J.Biol.Chem., 291, 2016
1DXK	Metallo-beta-lactamase from Bacillus cereus 569/H/9 C168S mutant Descriptor: BICARBONATE ION, CLASS B BETA-LACTAMASE, ZINC ION Authors: Chantalat, L, Duee, E, Dideberg, O. Deposit date: 2000-01-10 Release date: 2000-08-25 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural effects of the active site mutation cysteine to serine in Bacillus cereus zinc-beta-lactamase. Protein Sci., 9, 2000
4NCT	Human DYRK1A in complex with PKC412 Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PKC412 Authors: Alexeeva, M.O, Rothweiler, U. Deposit date: 2013-10-25 Release date: 2015-04-01 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.597 Å) Cite: The structure of a dual-specificity tyrosine phosphorylation-regulated kinase 1A-PKC412 complex reveals disulfide-bridge formation with the anomalous catalytic loop HRD(HCD) cysteine. Acta Crystallogr.,Sect.D, 71, 2015
8R7B	SARS-CoV-2 NSP14 in complex with SAH and TDI-015051 Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Guanine-N7 methyltransferase nsp14, ... Authors: Meyer, C, Garzia, A, Miller, M, Huggins, D.J, Myers, R.W, Liverton, N, Kargman, S, Nitsche, J, Ganichkin, O, Steinbacher, S, Meinke, P.T, Tuschl, T. Deposit date: 2023-11-24 Release date: 2024-10-23 Last modified: 2025-02-05 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Small-molecule inhibition of SARS-CoV-2 NSP14 RNA cap methyltransferase. Nature, 637, 2025
4YML	Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3S,4R)-methylthio-DADMe-Immucillin-A Descriptor: (3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, PHOSPHATE ION Authors: Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. Deposit date: 2015-03-06 Release date: 2015-08-26 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Tight binding enantiomers of pre-clinical drug candidates. Bioorg.Med.Chem., 23, 2015
4X24	Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A Descriptor: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, TRIETHYLENE GLYCOL Authors: Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. Deposit date: 2014-11-25 Release date: 2015-08-19 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Active site and remote contributions to catalysis in methylthioadenosine nucleosidases. Biochemistry, 54, 2015
3FJ9	Crystal structure of F85W mutant of Human acidic fibroblast growth factor Descriptor: FORMIC ACID, Heparin-binding growth factor 1 Authors: Blaber, M, Lee, J. Deposit date: 2008-12-14 Release date: 2009-10-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The interaction between thermodynamic stability and buried free cysteines in regulating the functional half-life of fibroblast growth factor-1. J.Mol.Biol., 393, 2009
2CB5	HUMAN BLEOMYCIN HYDROLASE, C73S/DELE455 MUTANT Descriptor: PROTEIN (BLEOMYCIN HYDROLASE) Authors: O'Farrell, P.A, Gonzalez, F, Zheng, W, Johnston, S.A, Joshua-Tor, L. Deposit date: 1999-03-02 Release date: 2000-03-06 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structure of human bleomycin hydrolase, a self-compartmentalizing cysteine protease. Structure Fold.Des., 7, 1999
3FJB	Crystal structure of V31I mutant of Human acidic fibroblast growth factor Descriptor: Heparin-binding growth factor 1, SULFATE ION Authors: Blaber, M, Lee, J. Deposit date: 2008-12-14 Release date: 2009-10-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: The interaction between thermodynamic stability and buried free cysteines in regulating the functional half-life of fibroblast growth factor-1. J.Mol.Biol., 393, 2009
3VVD	Crystal structure of TTC0807 complexed with Ornithine Descriptor: Amino acid ABC transporter, binding protein, L-ornithine Authors: Tomita, T, Kanemaru, Y, Hasebe, F, Kuzuyama, T, Nishiyama, M. Deposit date: 2012-07-21 Release date: 2013-06-26 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Two ATP-Binding Cassette Transporters Involved in (S)-2-Aminoethyl-Cysteine Uptake in Thermus thermophilus J.Bacteriol., 195, 2013
3VVE	Crystal structure of TTC0807 complexed with Lysine Descriptor: Amino acid ABC transporter, binding protein, LYSINE, ... Authors: Tomita, T, Kanemaru, Y, Hasebe, F, Kuzuyama, T, Nishiyama, M. Deposit date: 2012-07-21 Release date: 2013-06-26 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Two ATP-Binding Cassette Transporters Involved in (S)-2-Aminoethyl-Cysteine Uptake in Thermus thermophilus J.Bacteriol., 195, 2013

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