7DBJ
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![BU of 7dbj by Molmil](/molmil-images/mine/7dbj) | Crystal structure of human LDHB in complex with NADH, oxamate, and AXKO-0046 | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase B chain, ... | Authors: | Sogabe, S, Miwa, M. | Deposit date: | 2020-10-20 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | Identification of the first highly selective inhibitor of human lactate dehydrogenase B. Sci Rep, 11, 2021
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7DBK
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![BU of 7dbk by Molmil](/molmil-images/mine/7dbk) | Crystal structure of human LDHB in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase B chain | Authors: | Sogabe, S, Miwa, M. | Deposit date: | 2020-10-20 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Identification of the first highly selective inhibitor of human lactate dehydrogenase B. Sci Rep, 11, 2021
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6GTA
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![BU of 6gta by Molmil](/molmil-images/mine/6gta) | Alpha-galactosidase mutant D378A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 3,5 difluorophenyl leaving group | Descriptor: | (1~{R},2~{S},3~{S},6~{S})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, Alpha-galactosidase, MAGNESIUM ION, ... | Authors: | Gloster, T.M, Pengelly, R.J. | Deposit date: | 2018-06-17 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level. Nat Commun, 9, 2018
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5HVW
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![BU of 5hvw by Molmil](/molmil-images/mine/5hvw) | Monomeric IgG4 Fc | Descriptor: | GLYCEROL, Ig gamma-4 chain C region, ZINC ION, ... | Authors: | Oganesyan, V.Y, Shan, L, Dall'Acqua, W.F. | Deposit date: | 2016-01-28 | Release date: | 2016-08-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Generation and Characterization of an IgG4 Monomeric Fc Platform. Plos One, 11, 2016
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6GWF
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![BU of 6gwf by Molmil](/molmil-images/mine/6gwf) | Alpha-galactosidase mutant D387A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 2,4-dinitro leaving group | Descriptor: | (1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol, Alpha-galactosidase, MAGNESIUM ION, ... | Authors: | Gloster, T.M, Oehler, V. | Deposit date: | 2018-06-24 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level. Nat Commun, 9, 2018
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3JUX
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8T19
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![BU of 8t19 by Molmil](/molmil-images/mine/8t19) | RiPP precursor peptide recognition element (RRE) domain of Ocin-ThiF-like partner protein, PbtF, bound to an 8 residue fragment of its precursor peptide, PbtA | Descriptor: | MAGNESIUM ION, PbtA, PbtF | Authors: | Cogan, D.P, Nair, S.K, Mitchell, D.A. | Deposit date: | 2023-06-02 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Discovery and validation of RRE domains To Be Published
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5I4A
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![BU of 5i4a by Molmil](/molmil-images/mine/5i4a) | X-ray crystal structure of Marinitoga piezophila Argonaute in complex with 5' OH guide RNA | Descriptor: | Argonaute protein, RNA (5'-R(*UP*AP*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*U)-3') | Authors: | Doxzen, K.W, Kaya, E, Knoll, K.R, Wilson, R.C, Strutt, S.C, Kranzusch, P.J, Doudna, J.A. | Deposit date: | 2016-02-11 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | A bacterial Argonaute with noncanonical guide RNA specificity. Proc.Natl.Acad.Sci.USA, 113, 2016
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8C47
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6GX8
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![BU of 6gx8 by Molmil](/molmil-images/mine/6gx8) | Alpha-galactosidase from Thermotoga maritima in complex with hydrolysed cyclohexene-based carbasugar mimic of galactose | Descriptor: | (1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol, Alpha-galactosidase, GLYCEROL, ... | Authors: | Gloster, T.M, Oehler, V. | Deposit date: | 2018-06-26 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level. Nat Commun, 9, 2018
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6YP9
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![BU of 6yp9 by Molmil](/molmil-images/mine/6yp9) | Rabbit muscle actin in complex with ADF-H and ATP-ATTO-488 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Kogan, K, Kotila, T, Lappalainen, P. | Deposit date: | 2020-04-15 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.564 Å) | Cite: | A functional family of fluorescent nucleotide analogues to investigate actin dynamics and energetics. Nat Commun, 12, 2021
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5HFN
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5Y0T
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6KCX
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4YVZ
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![BU of 4yvz by Molmil](/molmil-images/mine/4yvz) | Structure of Thermotoga maritima DisA in complex with 3'-dATP/Mn2+ | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, DNA integrity scanning protein DisA, MANGANESE (II) ION | Authors: | Mueller, M, Deimling, T, Hopfner, K.-P, Witte, G. | Deposit date: | 2015-03-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | Structural analysis of the diadenylate cyclase reaction of DNA-integrity scanning protein A (DisA) and its inhibition by 3'-dATP. Biochem.J., 469, 2015
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6S84
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![BU of 6s84 by Molmil](/molmil-images/mine/6s84) | TsaBDE complex from Thermotoga maritima | Descriptor: | ATPase YjeE, predicted to have essential role in cell wall biosynthesis, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Missoury, S, Li-de-La-Sierra-Gallay, I, van Tilbeurgh, H. | Deposit date: | 2019-07-08 | Release date: | 2019-07-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | The structure of the TsaB/TsaD/TsaE complex reveals an unexpected mechanism for the bacterial t6A tRNA-modification. Nucleic Acids Res., 46, 2018
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4YXJ
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![BU of 4yxj by Molmil](/molmil-images/mine/4yxj) | Structure of Thermotoga maritima DisA in complex with ApCpp | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA integrity scanning protein DisA | Authors: | Mueller, M, Deimling, T, Hopfner, K.-P, Witte, G. | Deposit date: | 2015-03-23 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural analysis of the diadenylate cyclase reaction of DNA-integrity scanning protein A (DisA) and its inhibition by 3'-dATP. Biochem.J., 469, 2015
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4TW1
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![BU of 4tw1 by Molmil](/molmil-images/mine/4tw1) | Crystal structure of the octameric pore complex of the Staphylococcus aureus Bi-component Toxin LukGH | Descriptor: | Possible leukocidin subunit | Authors: | Logan, D.T, Hakansson, M, Saline, M, Kimbung, R, Badarau, A, Rouha, H, Nagy, E. | Deposit date: | 2014-06-29 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Function Analysis of Heterodimer Formation, Oligomerization, and Receptor Binding of the Staphylococcus aureus Bi-component Toxin LukGH. J.Biol.Chem., 290, 2015
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4YXM
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![BU of 4yxm by Molmil](/molmil-images/mine/4yxm) | Structure of Thermotoga maritima DisA D75N mutant with reaction product c-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA integrity scanning protein DisA | Authors: | Mueller, M, Deimling, T, Hopfner, K.-P, Witte, G. | Deposit date: | 2015-03-23 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural analysis of the diadenylate cyclase reaction of DNA-integrity scanning protein A (DisA) and its inhibition by 3'-dATP. Biochem.J., 469, 2015
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5Y0S
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5JW7
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![BU of 5jw7 by Molmil](/molmil-images/mine/5jw7) | Crystal structure of SopA-Trim56 complex | Descriptor: | E3 ubiquitin-protein ligase SopA, E3 ubiquitin-protein ligase TRIM56, ZINC ION | Authors: | Bhogaraju, S, Dikic, I. | Deposit date: | 2016-05-11 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.849 Å) | Cite: | Structural basis for the recognition and degradation of host TRIM proteins by Salmonella effector SopA. Nat Commun, 8, 2017
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5X9O
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![BU of 5x9o by Molmil](/molmil-images/mine/5x9o) | Crystal structure of the BCL6 BTB domain in complex with Compound 1a | Descriptor: | 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ... | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-03-08 | Release date: | 2017-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design Bioorg. Med. Chem., 25, 2017
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5X4N
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![BU of 5x4n by Molmil](/molmil-images/mine/5x4n) | Crystal structure of the BCL6 BTB domain in complex with Compound 4 | Descriptor: | 1,2-ETHANEDIOL, 5-chloro-N4-phenylpyrimidine-2,4-diamine, B-cell lymphoma 6 protein | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-02-13 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach J. Med. Chem., 60, 2017
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5X4O
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![BU of 5x4o by Molmil](/molmil-images/mine/5x4o) | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | Descriptor: | B-cell lymphoma 6 protein, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-02-13 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach J. Med. Chem., 60, 2017
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5X4M
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![BU of 5x4m by Molmil](/molmil-images/mine/5x4m) | Crystal structure of the BCL6 BTB domain in complex with Compound 1 | Descriptor: | B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-02-13 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach J. Med. Chem., 60, 2017
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