8GZ4
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![BU of 8gz4 by Molmil](/molmil-images/mine/8gz4) | Crystal structure of MPXV phosphatase | Descriptor: | Dual specificity protein phosphatase H1, PHOSPHATE ION | Authors: | Yang, H.T, Wang, W, Huang, H.J, Ji, X.Y. | Deposit date: | 2022-09-25 | Release date: | 2023-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Crystal structure of monkeypox H1 phosphatase, an antiviral drug target. Protein Cell, 14, 2023
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6XLO
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![BU of 6xlo by Molmil](/molmil-images/mine/6xlo) | Crystal structure of bRaf in complex with inhibitor | Descriptor: | 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf | Authors: | Yin, J, Eigenbrot, C, Wang, W. | Deposit date: | 2020-06-28 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. J.Med.Chem., 64, 2021
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8HEH
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![BU of 8heh by Molmil](/molmil-images/mine/8heh) | Crystal structure of GCN5-related N-acetyltransferase 05790 | Descriptor: | COENZYME A, GLYCEROL, GNAT family N-acetyltransferase | Authors: | Xu, M.X, Ran, T.T, Wang, W. | Deposit date: | 2022-11-08 | Release date: | 2022-12-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of prodigiosin binding protein PgbP, a GNAT family protein, in Serratia marcescens FS14. Biochem.Biophys.Res.Commun., 640, 2022
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8H0M
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![BU of 8h0m by Molmil](/molmil-images/mine/8h0m) | Crystal structure of VioD | Descriptor: | (2S)-2-ethylhexan-1-ol, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Xu, M, Ran, T, Wang, W. | Deposit date: | 2022-09-29 | Release date: | 2023-04-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway. Proteins, 91, 2023
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1G6M
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3UV3
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![BU of 3uv3 by Molmil](/molmil-images/mine/3uv3) | Ec_IspH in complex with but-2-ynyl diphosphate (1086) | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, but-2-yn-1-yl trihydrogen diphosphate | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | Deposit date: | 2011-11-29 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
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3URK
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![BU of 3urk by Molmil](/molmil-images/mine/3urk) | IspH in complex with propynyl diphosphate (1061) | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | Deposit date: | 2011-11-22 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
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3UTC
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![BU of 3utc by Molmil](/molmil-images/mine/3utc) | Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate | Descriptor: | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M. | Deposit date: | 2011-11-25 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
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3UV6
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![BU of 3uv6 by Molmil](/molmil-images/mine/3uv6) | Ec_IspH in complex with 4-hydroxybutyl diphosphate (1301) | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-hydroxybutyl trihydrogen diphosphate, IRON/SULFUR CLUSTER | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | Deposit date: | 2011-11-29 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
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3UWM
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![BU of 3uwm by Molmil](/molmil-images/mine/3uwm) | Ec_IspH in complex with 4-oxobutyl diphosphate (1302) | Descriptor: | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxobutyl trihydrogen diphosphate, ... | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | Deposit date: | 2011-12-02 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
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6XDF
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![BU of 6xdf by Molmil](/molmil-images/mine/6xdf) | Crystal structure of IRE1a in complex with G-4100 | Descriptor: | 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Steinbacher, S, Wang, W. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
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6XDD
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![BU of 6xdd by Molmil](/molmil-images/mine/6xdd) | Crystal structure of IRE1 in complex with G-3053 | Descriptor: | 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Ackerly-Wallweber, H, Wang, W. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
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1JE9
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![BU of 1je9 by Molmil](/molmil-images/mine/1je9) | NMR SOLUTION STRUCTURE OF NT2 | Descriptor: | SHORT NEUROTOXIN II | Authors: | Cheng, Y, Wang, W, Wang, J. | Deposit date: | 2001-06-16 | Release date: | 2001-07-04 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structure-function relationship of three neurotoxins from the venom of Naja kaouthia: a comparison between the NMR-derived structure of NT2 with its homologues, NT1 and NT3 BIOCHIM.BIOPHYS.ACTA, 1594, 2002
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7DKZ
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![BU of 7dkz by Molmil](/molmil-images/mine/7dkz) | Structure of plant photosystem I-light harvesting complex I supercomplex | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Wang, J, Yu, L.J, Wang, W. | Deposit date: | 2020-11-25 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Structure of plant photosystem I-light harvesting complex I supercomplex at 2.4 angstrom resolution. J Integr Plant Biol, 63, 2021
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6SKV
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6SKS
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6SU9
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6SKT
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5KQA
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![BU of 5kqa by Molmil](/molmil-images/mine/5kqa) | Crystal structure of buckwheat glutaredoxin-glutathione complex | Descriptor: | GLUTATHIONE, Glutaredoxin-glutathione complex | Authors: | Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H. | Deposit date: | 2016-07-06 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity J. Inorg. Biochem., 173, 2017
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1NI1
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![BU of 1ni1 by Molmil](/molmil-images/mine/1ni1) | Imidazole and cyanophenyl farnesyl transferase inhibitors | Descriptor: | 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ... | Authors: | Tong, Y, Lin, N.H, Wang, L, Hasvold, L, Wang, W, Leonard, N, Li, T, Li, Q, Cohen, J, Gu, W.Z, Zhang, H, Stoll, V, Bauch, J, Marsh, K, Rosenberg, S.H, Sham, H.L. | Deposit date: | 2002-12-20 | Release date: | 2004-04-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability. Bioorg.Med.Chem.Lett., 13, 2003
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6LUM
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![BU of 6lum by Molmil](/molmil-images/mine/6lum) | Structure of Mycobacterium smegmatis succinate dehydrogenase 2 | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ... | Authors: | Gao, Y, Gong, H, Zhou, X, Xiao, Y, Wang, W, Ji, W, Wang, Q, Rao, Z. | Deposit date: | 2020-01-29 | Release date: | 2020-05-27 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF. Nat Commun, 11, 2020
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3VPI
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3VPJ
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4WQ6
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![BU of 4wq6 by Molmil](/molmil-images/mine/4wq6) | The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21) | Descriptor: | 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Li, D, Wang, W. | Deposit date: | 2014-10-21 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility. Bioorg.Med.Chem.Lett., 25, 2015
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7CSZ
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![BU of 7csz by Molmil](/molmil-images/mine/7csz) | Crystal structure of the N-terminal tandem RRM domains of RBM45 in complex with single-stranded DNA | Descriptor: | DNA (5'-D(*CP*GP*AP*CP*GP*GP*GP*AP*CP*GP*C)-3'), RNA-binding protein 45 | Authors: | Chen, X, Yang, Z, Wang, W, Wang, M. | Deposit date: | 2020-08-17 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for RNA recognition by the N-terminal tandem RRM domains of human RBM45. Nucleic Acids Res., 49, 2021
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