5UKP
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![BU of 5ukp by Molmil](/molmil-images/mine/5ukp) | Structure of unliganded anti-gp120 CD4bs antibody DH522.1 Fab | Descriptor: | DH522.1 Fab fragment heavy chain, DH522.1 Fab fragment light chain | Authors: | Nicely, N.I. | Deposit date: | 2017-01-23 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations. Nat Commun, 8, 2017
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5UKN
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![BU of 5ukn by Molmil](/molmil-images/mine/5ukn) | Structure of unliganded anti-gp120 CD4bs antibody DH522UCA Fab | Descriptor: | CHLORIDE ION, DH522UCA Fab fragment heavy chain, DH522UCA Fab fragment light chain | Authors: | Nicely, N.I. | Deposit date: | 2017-01-23 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations. Nat Commun, 8, 2017
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3TL8
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![BU of 3tl8 by Molmil](/molmil-images/mine/3tl8) | |
2GYT
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![BU of 2gyt by Molmil](/molmil-images/mine/2gyt) | |
4JLK
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![BU of 4jlk by Molmil](/molmil-images/mine/4jlk) | Human dCK C4S-S74E mutant in complex with UDP and the F2.2.1 inhibitoR (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE) | Descriptor: | 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-03-12 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography. J.Med.Chem., 56, 2013
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3RN5
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![BU of 3rn5 by Molmil](/molmil-images/mine/3rn5) | Structural basis of cytosolic DNA recognition by innate immune receptors | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*GP*AP*GP*AP*AP*AP*GP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*CP*TP*TP*TP*CP*TP*CP*TP*CP*TP*TP*TP*GP*AP*TP*G)-3'), ... | Authors: | Jin, T.C, Xiao, T. | Deposit date: | 2011-04-21 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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3RNU
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![BU of 3rnu by Molmil](/molmil-images/mine/3rnu) | Structural Basis of Cytosolic DNA Sensing by Innate Immune Receptors | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*GP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*CP*TP*TP*TP*GP*AP*TP*GP*GP*CP*C)-3'), ... | Authors: | Jin, T.C, Xiao, T. | Deposit date: | 2011-04-22 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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5V0N
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![BU of 5v0n by Molmil](/molmil-images/mine/5v0n) | BACE1 in complex with inhibitor 5g | Descriptor: | Beta-secretase 1, GLYCEROL, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ... | Authors: | Mesecar, A, Ghosh, A, Yen, Y.-C. | Deposit date: | 2017-02-28 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.155 Å) | Cite: | Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands. Bioorg. Med. Chem. Lett., 27, 2017
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3LAM
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![BU of 3lam by Molmil](/molmil-images/mine/3lam) | Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl pyrimidinedione non-nucleoside inhibitor | Descriptor: | 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile, HIV Reverse transcriptase, SULFATE ION | Authors: | Lansdon, E.B, Mitchell, M.L. | Deposit date: | 2010-01-06 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 20, 2010
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3RN2
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![BU of 3rn2 by Molmil](/molmil-images/mine/3rn2) | Structural Basis of Cytosolic DNA Recognition by Innate Immune Receptors | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*TP*CP*TP*TP*TP*GP*AP*TP*GP*G)-3'), Interferon-inducible protein AIM2 | Authors: | Jin, T.C, Xiao, T. | Deposit date: | 2011-04-21 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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2N51
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![BU of 2n51 by Molmil](/molmil-images/mine/2n51) | |
3DM1
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![BU of 3dm1 by Molmil](/molmil-images/mine/3dm1) | Crystal structure of the complex of human chromobox homolog 3 (CBX3) with peptide | Descriptor: | Chromobox protein homolog 3, Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-06-30 | Release date: | 2008-08-19 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of the chromodomain of Cbx3 bound to methylated peptides from histone h1 and G9a. Plos One, 7, 2012
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3L95
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![BU of 3l95 by Molmil](/molmil-images/mine/3l95) | |
2QJ6
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![BU of 2qj6 by Molmil](/molmil-images/mine/2qj6) | Crystal structure analysis of a 14 repeat C-terminal fragment of toxin TcdA in Clostridium difficile | Descriptor: | Toxin A | Authors: | Albesa-Jove, D, Bertrand, T, Carpenter, L, Lim, J, Brown, K.A, Fairweather, N. | Deposit date: | 2007-07-06 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Solution and crystal structures of the cell binding domain of toxins TcdA and TcdB from Clostridium difficile To be Published
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2FEI
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![BU of 2fei by Molmil](/molmil-images/mine/2fei) | Solution structure of the second SH3 domain of Human CMS protein | Descriptor: | CD2-associated protein | Authors: | Yao, B, Dai, H, Jiao, Y, Wu, J, Shi, Y. | Deposit date: | 2005-12-15 | Release date: | 2006-12-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the second SH3 domain of human CMS and a newly identified binding site at the C-terminus of c-Cbl Biochim.Biophys.Acta, 1774, 2007
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2NB4
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![BU of 2nb4 by Molmil](/molmil-images/mine/2nb4) | Solution structure of Q388A3 PDZ domain | Descriptor: | Putative uncharacterized protein | Authors: | Mei, S. | Deposit date: | 2016-01-24 | Release date: | 2016-02-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of Q388A3 PDZ domain from Trypanosoma brucei J.Struct.Biol., 194, 2016
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2N7S
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![BU of 2n7s by Molmil](/molmil-images/mine/2n7s) | Solution Structure of Leptospiral LigA4 Big Domain | Descriptor: | Ig-like repeat domain protein 1 | Authors: | Mei, S. | Deposit date: | 2015-09-17 | Release date: | 2015-10-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of leptospiral LigA4 Big domain. Biochem. Biophys. Res. Commun., 467, 2015
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2MQG
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![BU of 2mqg by Molmil](/molmil-images/mine/2mqg) | |
2LN0
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![BU of 2ln0 by Molmil](/molmil-images/mine/2ln0) | Structure of MOZ | Descriptor: | Histone acetyltransferase KAT6A, ZINC ION | Authors: | Qiu, Y. | Deposit date: | 2011-12-15 | Release date: | 2012-06-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription. Genes Dev., 26, 2012
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5H5Y
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![BU of 5h5y by Molmil](/molmil-images/mine/5h5y) | Structure of Transferase mutant-C23S,C199S | Descriptor: | Non-LEE encoded effector protein NleB | Authors: | Park, J.B, Yoo, Y, Kim, J. | Deposit date: | 2016-11-10 | Release date: | 2017-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for arginine glycosylation of host substrates by bacterial effector proteins. Nat Commun, 9, 2018
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5KN3
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![BU of 5kn3 by Molmil](/molmil-images/mine/5kn3) | Recombinant bovine skeletal calsequestrin, low-Ca2+ form | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Lewis, K.M, Byrd, S, Kang, C. | Deposit date: | 2016-06-27 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle. Int J Mol Sci, 17, 2016
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4US9
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![BU of 4us9 by Molmil](/molmil-images/mine/4us9) | Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with 3- phenylpropionaldehyde | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 3-PHENYLPROPANAL, ALDEHYDE OXIDOREDUCTASE, ... | Authors: | Correia, H.D, Romao, M.J, Santos-Silva, T. | Deposit date: | 2014-07-03 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction. J.Biol.Inorg.Chem., 20, 2015
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6QOD
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![BU of 6qod by Molmil](/molmil-images/mine/6qod) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 7 (2-Amino-6-fluorobenzothiazole) | Descriptor: | 6-fluoro-1,3-benzothiazol-2-amine, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-03-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QOJ
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![BU of 6qoj by Molmil](/molmil-images/mine/6qoj) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 13 (4-Hydroxyquinazoline) | Descriptor: | 3,4-dihydroquinazolin-4-ol, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.023 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QOP
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![BU of 6qop by Molmil](/molmil-images/mine/6qop) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 19 (5-fluoroquinazolin-4-ol) | Descriptor: | 5-fluoranyl-3,4-dihydroquinazolin-4-ol, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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