6IY4
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4HQE
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![BU of 4hqe by Molmil](/molmil-images/mine/4hqe) | The crystal structure of QsrR-DNA complex | Descriptor: | DNA (5'-D(*AP*GP*TP*AP*TP*AP*AP*TP*TP*AP*TP*TP*AP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*TP*AP*AP*TP*AP*AP*TP*TP*AP*TP*AP*CP*T)-3'), Transcriptional regulator QsrR | Authors: | He, C, Ji, Q, Zhang, L. | Deposit date: | 2012-10-25 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Molecular mechanism of quinone signaling mediated through S-quinonization of a YodB family repressor QsrR. Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZWV
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![BU of 3zwv by Molmil](/molmil-images/mine/3zwv) | Crystal structure of ADP-ribosyl cyclase complexed with ara-2'F-ADP- ribose at 2.3 angstrom | Descriptor: | ADP-RIBOSYL CYCLASE, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-03 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural studies of intermediates along the cyclization pathway of Aplysia ADP-ribosyl cyclase. J. Mol. Biol., 415, 2012
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3ZWP
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![BU of 3zwp by Molmil](/molmil-images/mine/3zwp) | Crystal structure of ADP ribosyl cyclase complexed with ara-2'F-ADP- ribose at 2.1 angstrom | Descriptor: | ADP-RIBOSYL CYCLASE, GLYCEROL, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-02 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. J.Mol.Biol., 415, 2012
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4KT8
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![BU of 4kt8 by Molmil](/molmil-images/mine/4kt8) | The complex structure of Rv3378c-Y51FY90F with substrate, TPP | Descriptor: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | Deposit date: | 2013-05-20 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. J.Am.Chem.Soc., 136, 2014
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8CYF
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![BU of 8cyf by Molmil](/molmil-images/mine/8cyf) | WhiB3 bound to SigmaAr4-RNAP Beta flap tip chimera and DNA | Descriptor: | CACODYLATE ION, DNA (5'-D(*CP*AP*CP*CP*AP*CP*AP*AP*CP*CP*GP*AP*TP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*AP*AP*TP*CP*GP*GP*TP*TP*GP*TP*GP*GP*T)-3'), ... | Authors: | Wan, T, Zhang, L.M. | Deposit date: | 2022-05-23 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural basis of DNA binding by the WhiB-like transcription factor WhiB3 in Mycobacterium tuberculosis. J.Biol.Chem., 299, 2023
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6X0O
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![BU of 6x0o by Molmil](/molmil-images/mine/6x0o) | Single-Particle Cryo-EM Structure of Arabinosyltransferase EmbB from Mycobacterium smegmatis | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB | Authors: | Tan, Y.Z, Rodrigues, J, Keener, J.E, Zheng, R.B, Brunton, R, Kloss, B, Giacometti, S.I, Rosario, A.L, Zhang, L, Niederweis, M, Clarke, O.B, Lowary, T.L, Marty, M.T, Archer, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-05-17 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of arabinosyltransferase EmbB from Mycobacterium smegmatis. Nat Commun, 11, 2020
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6WBX
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![BU of 6wbx by Molmil](/molmil-images/mine/6wbx) | Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 1 | Descriptor: | CALCIUM ION, DUF3367 domain-containing protein | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-03-27 | Release date: | 2020-05-13 | Last modified: | 2020-06-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
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6WBY
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![BU of 6wby by Molmil](/molmil-images/mine/6wby) | Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 2 | Descriptor: | CALCIUM ION, DUF3367 domain-containing protein | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-03-27 | Release date: | 2020-05-13 | Last modified: | 2020-06-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
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7K26
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6IJ1
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![BU of 6ij1 by Molmil](/molmil-images/mine/6ij1) | Crystal structure of a protein from Actinoplanes | Descriptor: | ACETATE ION, IMIDAZOLE, Prenylcyclase | Authors: | Yang, Z.Z, Zhang, L.L, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-10-08 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | Crystal structure of TchmY from Actinoplanes teichomyceticus. Acta Crystallogr.,Sect.F, 75, 2019
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3EAX
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![BU of 3eax by Molmil](/molmil-images/mine/3eax) | Crystal structure PTP1B complex with small molecule compound LZP-6 | Descriptor: | 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Zhang, Z.-Y, Liu, S, Zhang, L.-F, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q. | Deposit date: | 2008-08-26 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors. J.Am.Chem.Soc., 130, 2008
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4NPM
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4NPL
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8CWT
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4O8B
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![BU of 4o8b by Molmil](/molmil-images/mine/4o8b) | Crystal structure of transcriptional regulator BswR | Descriptor: | Uncharacterized protein | Authors: | Ye, F.Z, Wang, C, Kumar, V, Zhang, L.H, Gao, Y.G. | Deposit date: | 2013-12-26 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | BswR controls bacterial motility and biofilm formation in Pseudomonas aeruginosa through modulation of the small RNA rsmZ. Nucleic Acids Res., 42, 2014
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7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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5YVD
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5XPV
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![BU of 5xpv by Molmil](/molmil-images/mine/5xpv) | Structure of the V domain of amphioxus IgVJ-C2 | Descriptor: | amphioxus IgVJ-C2 | Authors: | Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C. | Deposit date: | 2017-06-05 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily. J. Immunol., 200, 2018
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5XPW
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![BU of 5xpw by Molmil](/molmil-images/mine/5xpw) | Structure of amphioxus IgVJ-C2 molecule | Descriptor: | amphioxus IgVJ-C2 | Authors: | Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C. | Deposit date: | 2017-06-05 | Release date: | 2018-04-18 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily. J. Immunol., 200, 2018
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7XQ1
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![BU of 7xq1 by Molmil](/molmil-images/mine/7xq1) | Structure of hSLC19A1+2'3'-CDAS | Descriptor: | (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol, Reduced folate transporter | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | Deposit date: | 2022-05-06 | Release date: | 2022-10-05 | Last modified: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1. Nature, 612, 2022
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8JP2
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![BU of 8jp2 by Molmil](/molmil-images/mine/8jp2) | Crystal structure of AKR1C1 in complex with DFV | Descriptor: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | Deposit date: | 2023-06-10 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibition of AKR1Cs by liquiritigenin and the structural basis. Chem.Biol.Interact., 385, 2023
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8JP1
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![BU of 8jp1 by Molmil](/molmil-images/mine/8jp1) | Crystal structure of AKR1C3 in complex with DFV | Descriptor: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | Deposit date: | 2023-06-10 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of AKR1Cs by liquiritigenin and the structural basis. Chem.Biol.Interact., 385, 2023
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6WN2
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3ZWN
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![BU of 3zwn by Molmil](/molmil-images/mine/3zwn) | Crystal structure of Aplysia cyclase complexed with substrate NGD and product cGDPR | Descriptor: | 3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYD ROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2- YL]PYRIDINIUM, ADP-RIBOSYL CYCLASE, CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-02 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. J.Mol.Biol., 415, 2012
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