5FAK
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![BU of 5fak by Molmil](/molmil-images/mine/5fak) | Crystal structure of Double Mutant S12T and N87T of Adenosine/Methylthioadenosine Phosphorylase from Schistosoma mansoni in complex with Adenine | Descriptor: | ADENINE, Methylthioadenosine phosphorylase, SULFATE ION | Authors: | Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway. PLoS Negl Trop Dis, 10, 2016
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8WUI
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![BU of 8wui by Molmil](/molmil-images/mine/8wui) | SKOR D312N L271P double mutation | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR | Authors: | Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G. | Deposit date: | 2023-10-20 | Release date: | 2024-04-10 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel. Plant Commun., 5, 2024
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7JSG
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![BU of 7jsg by Molmil](/molmil-images/mine/7jsg) | Adeno-Associated Virus 2 Rep68 HD-Heptamer-ssDNA with ATPgS | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Protein Rep68 | Authors: | Escalante, C.R. | Deposit date: | 2020-08-14 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states. Nucleic Acids Res., 48, 2020
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1N5W
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![BU of 1n5w by Molmil](/molmil-images/mine/1n5w) | Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Oxidized form | Descriptor: | CU(I)-S-MO(VI)(=O)OH CLUSTER, Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, ... | Authors: | Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O. | Deposit date: | 2002-11-07 | Release date: | 2002-12-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution Proc.Natl.Acad.Sci.USA, 99, 2002
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7JY8
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1N63
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![BU of 1n63 by Molmil](/molmil-images/mine/1n63) | Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Carbon monoxide reduced state | Descriptor: | CU(I)-S-MO(IV)(=O)OH CLUSTER, Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, ... | Authors: | Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O. | Deposit date: | 2002-11-08 | Release date: | 2002-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution Proc.Natl.Acad.Sci.USA, 99, 2002
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4GX2
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![BU of 4gx2 by Molmil](/molmil-images/mine/4gx2) | GsuK channel bound to NAD | Descriptor: | CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, ... | Authors: | Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y. | Deposit date: | 2012-09-03 | Release date: | 2012-12-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel. elife, 1, 2012
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1N61
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![BU of 1n61 by Molmil](/molmil-images/mine/1n61) | Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Dithionite reduced state | Descriptor: | CU(I)-S-MO(IV)(=O)OH CLUSTER, Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, ... | Authors: | Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O. | Deposit date: | 2002-11-08 | Release date: | 2002-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution Proc.Natl.Acad.Sci.USA, 99, 2002
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5D3W
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![BU of 5d3w by Molmil](/molmil-images/mine/5d3w) | Crystal Structure of the P-Rex1 PH domain with Sulfate Bound | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein, SULFATE ION | Authors: | Cash, J.N, Tesmer, J.J.G. | Deposit date: | 2015-08-06 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Structural and Biochemical Characterization of the Catalytic Core of the Metastatic Factor P-Rex1 and Its Regulation by PtdIns(3,4,5)P3. Structure, 24, 2016
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8W20
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![BU of 8w20 by Molmil](/molmil-images/mine/8w20) | Umb1 umbrella toxin particle | Descriptor: | Intein C-terminal splicing domain-containing protein, Secreted esterase, Secreted protein | Authors: | Park, Y.J, Zhao, Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), DiMaio, F, Mougous, J.D, Veesler, D. | Deposit date: | 2024-02-19 | Release date: | 2024-04-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Streptomyces umbrella toxin particles block hyphal growth of competing species. Nature, 629, 2024
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1N6Z
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5CRX
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8W09
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![BU of 8w09 by Molmil](/molmil-images/mine/8w09) | HIV-1 wild-type intasome core | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, Integrase, MAGNESIUM ION, ... | Authors: | Li, M, Craigie, R. | Deposit date: | 2024-02-13 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro. J.Mol.Biol., 436, 2024
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5FCH
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![BU of 5fch by Molmil](/molmil-images/mine/5fch) | Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris, phosphate and Zn bound | Descriptor: | DI(HYDROXYETHYL)ETHER, GLY-GLY-GLY, GLYCEROL, ... | Authors: | Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R.D. | Deposit date: | 2015-12-15 | Release date: | 2016-12-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure and biochemical investigations reveal novel mode of substrate selectivity and illuminate substrate inhibition and allostericity in a subfamily of Xaa-Pro dipeptidases Biochim. Biophys. Acta, 1865, 2017
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8W2L
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![BU of 8w2l by Molmil](/molmil-images/mine/8w2l) | TRPM7 structure in complex with anticancer agent CCT128930 in closed state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, ... | Authors: | Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2024-02-20 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.45 Å) | Cite: | Structural basis of selective TRPM7 inhibition by the anticancer agent CCT128930. Cell Rep, 43, 2024
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2CD8
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![BU of 2cd8 by Molmil](/molmil-images/mine/2cd8) | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | Deposit date: | 2006-01-20 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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5FK3
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5CSH
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![BU of 5csh by Molmil](/molmil-images/mine/5csh) | Crystal Structure of CK2alpha with Compound 4 bound | Descriptor: | 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-23 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
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8W34
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![BU of 8w34 by Molmil](/molmil-images/mine/8w34) | HIV-1 intasome core assembled with wild-type integrase, 1F | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (5'-D(*AP*CP*TP*GP*CP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*CP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*GP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*GP*CP*A)-3'), ... | Authors: | Li, M, Craigie, R. | Deposit date: | 2024-02-21 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro. J.Mol.Biol., 436, 2024
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4GYN
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![BU of 4gyn by Molmil](/molmil-images/mine/4gyn) | The E142L mutant of the amidase from Geobacillus pallidus | Descriptor: | Aliphatic amidase, CHLORIDE ION | Authors: | Weber, B.W, Sewell, B.T, Kimani, S.W, Varsani, A, Cowan, D.A, Hunter, R. | Deposit date: | 2012-09-05 | Release date: | 2013-08-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The mechanism of the amidases: mutating the glutamate adjacent to the catalytic triad inactivates the enzyme due to substrate mispositioning. J.Biol.Chem., 288, 2013
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3FUA
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![BU of 3fua by Molmil](/molmil-images/mine/3fua) | L-FUCULOSE-1-PHOSPHATE ALDOLASE CRYSTAL FORM K | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, L-FUCULOSE-1-PHOSPHATE ALDOLASE, ... | Authors: | Dreyer, M.K, Schulz, G.E. | Deposit date: | 1996-02-14 | Release date: | 1996-10-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Catalytic mechanism of the metal-dependent fuculose aldolase from Escherichia coli as derived from the structure. J.Mol.Biol., 259, 1996
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2VA5
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![BU of 2va5 by Molmil](/molmil-images/mine/2va5) | X-ray crystal structure of beta secretase complexed with compound 8c | Descriptor: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | Deposit date: | 2007-08-30 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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5D4W
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![BU of 5d4w by Molmil](/molmil-images/mine/5d4w) | Crystal structure of Hsp104 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Putative heat shock protein | Authors: | Heuck, A, Schitter-Sollner, S, Clausen, T. | Deposit date: | 2015-08-09 | Release date: | 2016-12-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural basis for the disaggregase activity and regulation of Hsp104. Elife, 5, 2016
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2V1P
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![BU of 2v1p by Molmil](/molmil-images/mine/2v1p) | Crystal Structure of the apo form of Y74F mutant E. coli tryptophanase | Descriptor: | CHLORIDE ION, MAGNESIUM ION, TRYPTHOPANASE | Authors: | Kogan, A, Gdalevsky, G.Y, Cohen-Luria, R, Goldgur, Y, Parola, A.H, Almog, O. | Deposit date: | 2007-05-28 | Release date: | 2008-06-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational Changes and Loose Packing Promote E. Coli Tryptophanase Cold Lability. Bmc Struct.Biol., 9, 2009
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8W9B
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![BU of 8w9b by Molmil](/molmil-images/mine/8w9b) | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site | Descriptor: | 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Huang, X, Ren, X, Zhong, W. | Deposit date: | 2023-09-05 | Release date: | 2024-04-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 32, 2024
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