4Q18
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![BU of 4q18 by Molmil](/molmil-images/mine/4q18) | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol] | Descriptor: | 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2014-11-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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2P0X
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![BU of 2p0x by Molmil](/molmil-images/mine/2p0x) | solution structure of a non-biological ATP-binding protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ZINC ION, abiotic ATP-binding, ... | Authors: | Mansy, S.S, Szostak, J.W, Chaput, J.C. | Deposit date: | 2007-03-01 | Release date: | 2007-08-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure and Evolutionary Analysis of a Non-biological ATP-binding Protein J.Mol.Biol., 371, 2007
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5DD0
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![BU of 5dd0 by Molmil](/molmil-images/mine/5dd0) | Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques | Descriptor: | ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB HEAVY LIGHT, oligo peptide | Authors: | Zhang, R, Verkoczy, L, Wiehe, K, Alam, S.M, Nicely, N.I, Santra, S, Bradley, T, Pemble, C, Gao, F, Montefiori, D.C, Bouton-Verville, H, Kelsoe, G, Parks, R, Foulger, A, Tomaras, G, Keple, T.B, Moody, M.A, Liao, H.-X, Haynes, B.F. | Deposit date: | 2015-08-24 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.488 Å) | Cite: | Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages. Sci Transl Med, 8, 2016
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4RKH
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![BU of 4rkh by Molmil](/molmil-images/mine/4rkh) | Structure of the MSL2 CXC domain bound with a specific MRE sequence | Descriptor: | DNA (5'-D(*AP*TP*CP*CP*AP*TP*CP*TP*CP*GP*CP*TP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*AP*GP*CP*GP*AP*GP*AP*TP*GP*GP*AP*T)-3'), E3 ubiquitin-protein ligase msl-2, ... | Authors: | Zheng, S, Ye, K. | Deposit date: | 2014-10-13 | Release date: | 2015-01-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of X chromosome DNA recognition by the MSL2 CXC domain during Drosophila dosage compensation. Genes Dev., 28, 2014
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3GJ9
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![BU of 3gj9 by Molmil](/molmil-images/mine/3gj9) | crystal structure of TIP-1 in complex with c-terminal of Kir2.3 | Descriptor: | C-terminal peptide from Inward rectifier potassium channel 4, CHLORIDE ION, Tax1-binding protein 3, ... | Authors: | Shen, Y. | Deposit date: | 2009-03-08 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular mechanism of inward rectifier potassium channel 2.3 regulation by tax-interacting protein-1 J.Mol.Biol., 392, 2009
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4JDR
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![BU of 4jdr by Molmil](/molmil-images/mine/4jdr) | Dihydrolipoamide dehydrogenase of pyruvate dehydrogenase from escherichia coli | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Chandrasekhar, K, Arjunan, P, Furey, W. | Deposit date: | 2013-02-25 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight to the Interaction of the Dihydrolipoamide Acetyltransferase (E2) Core with the Peripheral Components in the Escherichia coli Pyruvate Dehydrogenase Complex via Multifaceted Structural Approaches. J.Biol.Chem., 288, 2013
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5DD5
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![BU of 5dd5 by Molmil](/molmil-images/mine/5dd5) | |
3R9M
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![BU of 3r9m by Molmil](/molmil-images/mine/3r9m) | Crystal structure of the Brox Bro1 domain | Descriptor: | 1,2-ETHANEDIOL, BRO1 domain-containing protein BROX, FORMIC ACID | Authors: | Mu, R.L, Jiang, J.S, Snyder, G, Smith, P, Xiao, T. | Deposit date: | 2011-03-25 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Phe105 Loop of Alix Bro1 Domain Plays a Key Role in HIV-1 Release. Structure, 19, 2011
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4JMG
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![BU of 4jmg by Molmil](/molmil-images/mine/4jmg) | |
3LX7
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![BU of 3lx7 by Molmil](/molmil-images/mine/3lx7) | Crystal structure of a Novel Tudor domain-containing protein SGF29 | Descriptor: | SAGA-associated factor 29 homolog, SULFATE ION, UNKNOWN ATOM OR ION | Authors: | Bian, C.B, Xu, C, Tempel, W, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J. | Deposit date: | 2010-02-24 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation. Embo J., 30, 2011
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4RV3
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![BU of 4rv3 by Molmil](/molmil-images/mine/4rv3) | Crystal structure of a pentafluoro-Phe incorporated Phosphatidylinositol-specific phospholipase C (H258X)from Staphylococcus aureus | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ACETATE ION | Authors: | He, T, Gershenson, A, Eyles, S.J, Gao, J, Roberts, M.F. | Deposit date: | 2014-11-24 | Release date: | 2015-07-01 | Last modified: | 2018-08-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fluorinated Aromatic Amino Acids Distinguish Cation-pi Interactions from Membrane Insertion. J.Biol.Chem., 290, 2015
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1M8S
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![BU of 1m8s by Molmil](/molmil-images/mine/1m8s) | Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 5.9) | Descriptor: | 1,4-BUTANEDIOL, CADMIUM ION, phospholipase a2 | Authors: | Xu, S, Gu, L, Zhou, Y, Lin, Z. | Deposit date: | 2002-07-25 | Release date: | 2003-02-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio Biochem.Biophys.Res.Commun., 300, 2003
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3QUX
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![BU of 3qux by Molmil](/molmil-images/mine/3qux) | Structure of the mouse CD1d-alpha-C-GalCer-iNKT TCR complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Li, Y, Girardi, E, Yu, E.D, Zajonc, D.M. | Deposit date: | 2011-02-24 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis. Embo J., 30, 2011
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1M8R
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![BU of 1m8r by Molmil](/molmil-images/mine/1m8r) | Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 7.4) | Descriptor: | 1,4-BUTANEDIOL, CADMIUM ION, phospholipase A2 | Authors: | Xu, S, Gu, L, Zhou, Y, Lin, Z. | Deposit date: | 2002-07-25 | Release date: | 2003-02-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio Biochem.Biophys.Res.Commun., 300, 2003
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3PKJ
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![BU of 3pkj by Molmil](/molmil-images/mine/3pkj) | Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose | Descriptor: | NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-11 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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3TO4
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![BU of 3to4 by Molmil](/molmil-images/mine/3to4) | Structure of mouse Valpha14Vbeta2-mouseCD1d-alpha-Galactosylceramide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Patel, O, Rossjohn, J. | Deposit date: | 2011-09-04 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Vbeta2 natural killer T cell antigen receptor-mediated recognition of CD1d-glycolipid antigen. Proc.Natl.Acad.Sci.USA, 108, 2011
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3PXG
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![BU of 3pxg by Molmil](/molmil-images/mine/3pxg) | Structure of MecA121 and ClpC1-485 complex | Descriptor: | Adapter protein mecA 1, Negative regulator of genetic competence ClpC/MecB | Authors: | Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G. | Deposit date: | 2010-12-09 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.654 Å) | Cite: | Structure and mechanism of the hexameric MecA-ClpC molecular machine. Nature, 471, 2011
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8K76
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![BU of 8k76 by Molmil](/molmil-images/mine/8k76) | |
5ZE6
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![BU of 5ze6 by Molmil](/molmil-images/mine/5ze6) | CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981 | Descriptor: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2018-02-26 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
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4GB9
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![BU of 4gb9 by Molmil](/molmil-images/mine/4gb9) | Potent and Highly Selective Benzimidazole Inhibitors of PI3K-delta | Descriptor: | 2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M. | Deposit date: | 2012-07-26 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.438 Å) | Cite: | Potent and highly selective benzimidazole inhibitors of PI3-kinase delta. J.Med.Chem., 55, 2012
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8GVL
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![BU of 8gvl by Molmil](/molmil-images/mine/8gvl) | PTPN21 FERM | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Tyrosine-protein phosphatase non-receptor type 21 | Authors: | Chen, L, Zheng, Y.Y, Zhou, C. | Deposit date: | 2022-09-15 | Release date: | 2023-09-20 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity. Sci Adv, 10, 2024
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8GWH
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![BU of 8gwh by Molmil](/molmil-images/mine/8gwh) | |
6H9L
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![BU of 6h9l by Molmil](/molmil-images/mine/6h9l) | |
5YXI
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![BU of 5yxi by Molmil](/molmil-images/mine/5yxi) | Designed protein dRafX6 | Descriptor: | Designed protein dRafX6 | Authors: | Liu, R. | Deposit date: | 2017-12-05 | Release date: | 2018-12-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo sequence redesign of a functional Ras-binding domain globally inverted the surface charge distribution and led to extreme thermostability. Biotechnol.Bioeng., 118, 2021
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3L9R
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![BU of 3l9r by Molmil](/molmil-images/mine/3l9r) | Crystal structure of bovine CD1b3 with endogenously bound ligands | Descriptor: | (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Girardi, E. | Deposit date: | 2010-01-05 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of bovine CD1b3 with endogenously bound ligands. J.Immunol., 185, 2010
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