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5X2W	Crystal structure of Pseudomonas putida methionine gamma-lyase wild type with L-methionine intermediates Descriptor: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid, L-methionine gamma-lyase Authors: Shiba, T, Sato, D, Harada, S. Deposit date: 2017-02-02 Release date: 2017-04-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural and mechanistic insights into homocysteine degradation by a mutant of methionine gamma-lyase based on substrate-assisted catalysis Protein Sci., 26, 2017
7D6T	X-ray structure of Clostridium perfringens sortase C with the C-terminal cell wall sorting motif. Descriptor: Sortase family protein Authors: Kamitori, S, Tamai, E. Deposit date: 2020-10-01 Release date: 2021-06-02 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.68 Å) Cite: X-ray structures of Clostridium perfringens sortase C with C-terminal cell wall sorting motif of LPST demonstrate role of subsite for substrate-binding and structural variations of catalytic site. Biochem.Biophys.Res.Commun., 554, 2021
7OR8	Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ136 Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... Authors: Centorrino, F, Wu, Q, Ottmann, C. Deposit date: 2021-06-04 Release date: 2022-06-22 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A crystallography-based study of fragment extensions into the 14-3-3 binding groove To Be Published
7ORT	Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ176 Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ... Authors: Centorrino, F, Wu, Q, Ottmann, C. Deposit date: 2021-06-06 Release date: 2022-06-22 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.33 Å) Cite: A crystallography-based study of fragment extensions into the 14-3-3 binding groove To Be Published
7OQW	Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ178 Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), MAGNESIUM ION, ... Authors: Centorrino, F, Ottmann, C. Deposit date: 2021-06-04 Release date: 2022-06-22 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.9 Å) Cite: A crystallography-based study of fragment extensions into the 14-3-3 binding groove To Be Published
7ORH	Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ178 Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ... Authors: Centorrino, F, Wu, Q, Ottmann, C. Deposit date: 2021-06-05 Release date: 2022-06-22 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A crystallography-based study of fragment extensions into the 14-3-3 binding groove To Be Published
5X80	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH SALICYLIC ACID Descriptor: 2-HYDROXYBENZOIC ACID, SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv2887 Authors: Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J. Deposit date: 2017-02-28 Release date: 2017-08-09 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis Sci Rep, 7, 2017
5HGB	HLA*A2402 complexed with HIV nef138 8mer epitope Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... Authors: Shi, Y, Qi, J, Gao, G.F. Deposit date: 2016-01-08 Release date: 2016-06-08 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation. Cell Rep, 15, 2016
5HF3	Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma Descriptor: 14-3-3 protein sigma, modified Tau peptide Authors: Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. Deposit date: 2016-01-06 Release date: 2016-01-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
5HGD	HLA*A2402 complexed with HIV nef138 Y2F mutant 10mer epitope Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... Authors: Shi, Y, Qi, J, Gao, G.F. Deposit date: 2016-01-08 Release date: 2016-06-08 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation. Cell Rep, 15, 2016
5X3N	Crystal structure of DiUb-K6 Descriptor: PHOSPHATE ION, Polyubiquitin-B Authors: Man, P, Shuai, G, Qian, Q, Lei, L. Deposit date: 2017-02-06 Release date: 2017-04-12 Method: X-RAY DIFFRACTION (1.649 Å) Cite: Structure of p-Ub-S65-NH2 at 1.82 Angstroms resolution. To Be Published
5H91	LbDERA mutant-T29L/F163Y Descriptor: ACETIC ACID, Deoxyribose-phosphate aldolase Authors: Jiao, X.-C. Deposit date: 2015-12-25 Release date: 2016-12-28 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Structure of 2-deoxyribose-5-phosphate aldolase LbDERAT29L/F163Y at 1.77 Angstroms resolution To Be Published
7D36	Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydro-2,6-naphthyridin-3-yl]-4-fluorophenyl}-5-cyano-3-methylpyridine-2-carboxamide Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ... Authors: Nakahara, K, Mitsuoka, Y, Kasuya, S, Yamamoto, T, Yamamoto, S, Ito, H, Kido, Y, Kusakabe, K.I. Deposit date: 2020-09-18 Release date: 2021-07-28 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Balancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central A beta reduction. Eur.J.Med.Chem., 216, 2021
1WD0	Crystal structures of the hyperthermophilic chromosomal protein Sac7d in complex with DNA decamers Descriptor: 5'-D(*CP*CP*TP*AP*TP*AP*TP*AP*GP*G)-3', DNA-binding proteins 7a/7b/7d Authors: Ko, T.-P, Chu, H.-M, Chen, C.-Y, Chou, C.-C, Wang, A.H.-J. Deposit date: 2004-05-10 Release date: 2004-08-03 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structures of the hyperthermophilic chromosomal protein Sac7d in complex with DNA decamers. Acta Crystallogr.,Sect.D, 60, 2004
7S4A	MRG15 complex with PALB2 peptide Descriptor: Mortality factor 4-like protein 1, Partner and localizer of BRCA2 Authors: Korolev, S, Deveryshetty, J. Deposit date: 2021-09-08 Release date: 2022-05-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.693 Å) Cite: Structural Insight into the Mechanism of PALB2 Interaction with MRG15. Genes (Basel), 12, 2021
5HOW	X-ray crystallographic structure of an Abeta 17-36 beta-hairpin. LV(PHI)FAEDCGSNKCAII(SAR)L(ORN)V Descriptor: Amyloid beta A4 protein Authors: Kreutzer, A.G, Nowick, J.S, Spencer, R.K. Deposit date: 2016-01-19 Release date: 2016-03-23 Last modified: 2019-12-25 Method: X-RAY DIFFRACTION (2.295 Å) Cite: X-ray Crystallographic Structures of a Trimer, Dodecamer, and Annular Pore Formed by an A beta 17-36 beta-Hairpin. J.Am.Chem.Soc., 138, 2016
5HSM	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 Descriptor: SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv2887 Authors: Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J. Deposit date: 2016-01-26 Release date: 2017-02-01 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis Sci Rep, 7, 2017
5XCW	Crystal structure of M92A-M120A double mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae Descriptor: Cysteine synthase Authors: Abhishek, K, Kumaran, S. Deposit date: 2017-03-23 Release date: 2018-05-02 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Molecular Mechanism of Selective Substrate Engagement and Inhibitor Dis-engagement of Cysteine Synthase. J.Biol.Chem., 2020
5HTR	Putative sugar kinases from Arabidopsis thaliana in apo form Descriptor: Putative xylulose kinase Authors: Xie, Y, Li, M, Chang, W. Deposit date: 2016-01-27 Release date: 2016-06-08 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana Plos One, 11, 2016
7OQ9	Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ136 Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... Authors: Centorrino, F, Ottmann, C. Deposit date: 2021-06-02 Release date: 2022-08-10 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A crystallography-based study of fragment extensions into the 14-3-3 binding groove To Be Published
7OQA	Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162 Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... Authors: Centorrino, F, Ottmann, C. Deposit date: 2021-06-02 Release date: 2022-08-10 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A crystallography-based study of fragment extensions into the 14-3-3 binding groove To Be Published
1WOF	Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1 Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE Authors: Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z. Deposit date: 2004-08-18 Release date: 2005-08-30 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
5XNR	Truncated AlyQ with CBM32 and alginate lyase domains Descriptor: ACETATE ION, AlyQ, CALCIUM ION, ... Authors: Teh, A.H, Sim, P.F. Deposit date: 2017-05-24 Release date: 2018-06-13 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Functional and Structural Studies of a Multidomain Alginate Lyase from Persicobacter sp. CCB-QB2. Sci Rep, 7, 2017
1WTX	Hyperthermophile chromosomal protein SAC7D single mutant V26A in complex with DNA GTAATTAC Descriptor: 5'-D(*GP*TP*AP*AP*TP*TP*AP*C)-3', DNA-binding proteins 7a/7b/7d Authors: Chen, C.-Y, Ko, T.-P, Lin, T.-W, Chou, C.-C, Chen, C.-J, Wang, A.H.-J. Deposit date: 2004-11-29 Release date: 2005-02-22 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Probing the DNA kink structure induced by the hyperthermophilic chromosomal protein Sac7d NUCLEIC ACIDS RES., 33, 2005
7RWE	Crystal structure of CDK2 liganded with compound GPHR787 Descriptor: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2 Authors: Sun, L, Schonbrunn, E. Deposit date: 2021-08-19 Release date: 2022-08-24 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023

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