5X2W
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![BU of 5x2w by Molmil](/molmil-images/mine/5x2w) | |
7D6T
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7OR8
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![BU of 7or8 by Molmil](/molmil-images/mine/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
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7ORT
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![BU of 7ort by Molmil](/molmil-images/mine/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
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7OQW
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7ORH
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![BU of 7orh by Molmil](/molmil-images/mine/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
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5X80
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![BU of 5x80 by Molmil](/molmil-images/mine/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
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5HGB
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![BU of 5hgb by Molmil](/molmil-images/mine/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
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5HF3
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![BU of 5hf3 by Molmil](/molmil-images/mine/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
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5HGD
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![BU of 5hgd by Molmil](/molmil-images/mine/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
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5X3N
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5H91
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![BU of 5h91 by Molmil](/molmil-images/mine/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
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7D36
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![BU of 7d36 by Molmil](/molmil-images/mine/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
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1WD0
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![BU of 1wd0 by Molmil](/molmil-images/mine/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
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7S4A
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![BU of 7s4a by Molmil](/molmil-images/mine/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
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5HOW
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5HSM
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![BU of 5hsm by Molmil](/molmil-images/mine/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
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5XCW
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5HTR
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![BU of 5htr by Molmil](/molmil-images/mine/5htr) | |
7OQ9
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![BU of 7oq9 by Molmil](/molmil-images/mine/7oq9) | |
7OQA
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1WOF
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![BU of 1wof by Molmil](/molmil-images/mine/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
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5XNR
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![BU of 5xnr by Molmil](/molmil-images/mine/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
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1WTX
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![BU of 1wtx by Molmil](/molmil-images/mine/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
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7RWE
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![BU of 7rwe by Molmil](/molmil-images/mine/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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