5JUV
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![BU of 5juv by Molmil](/molmil-images/mine/5juv) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-b-Galactopyranosyl galactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | Deposit date: | 2016-05-10 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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4RCJ
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![BU of 4rcj by Molmil](/molmil-images/mine/4rcj) | Crystal structure of YTHDF1 YTH domain in complex with 5mer m6A RNA | Descriptor: | RNA (5'-R(*GP*GP*(6MZ)P*CP*U)-3'), UNKNOWN ATOM OR ION, YTH domain-containing family protein 1 | Authors: | Tempel, W, Xu, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-09-16 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for the Discriminative Recognition of N6-Methyladenosine RNA by the Human YT521-B Homology Domain Family of Proteins. J.Biol.Chem., 290, 2015
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6CXF
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5JXN
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![BU of 5jxn by Molmil](/molmil-images/mine/5jxn) | Thermolysin in complex with JC240. | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | Deposit date: | 2016-05-13 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands. J. Med. Chem., 59, 2016
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6J5T
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![BU of 6j5t by Molmil](/molmil-images/mine/6j5t) | Reconstitution and structure of a plant NLR resistosome conferring immunity | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ... | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | Deposit date: | 2019-01-12 | Release date: | 2019-03-20 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Reconstitution and structure of a plant NLR resistosome conferring immunity. Science, 364, 2019
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5H31
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6J5U
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![BU of 6j5u by Molmil](/molmil-images/mine/6j5u) | Ligand-triggered allosteric ADP release primes a plant NLR complex | Descriptor: | Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ... | Authors: | Wang, J.Z, Wang, J, Meijuan, H, Wang, H.W, Zhou, J.M, Chai, J.J. | Deposit date: | 2019-01-12 | Release date: | 2019-04-03 | Last modified: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Ligand-triggered allosteric ADP release primes a plant NLR complex. Science, 364, 2019
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4NGT
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![BU of 4ngt by Molmil](/molmil-images/mine/4ngt) | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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5MG1
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![BU of 5mg1 by Molmil](/molmil-images/mine/5mg1) | Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M. | Deposit date: | 2016-11-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers. Nat. Methods, 14, 2017
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5TZR
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![BU of 5tzr by Molmil](/molmil-images/mine/5tzr) | GPR40 in complex with partial agonist MK-8666 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ... | Authors: | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | Deposit date: | 2016-11-22 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40. Nat. Struct. Mol. Biol., 24, 2017
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5K9I
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![BU of 5k9i by Molmil](/molmil-images/mine/5k9i) | Crystal structure of c-SRC in complex with a covalent lysine probe | Descriptor: | 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride, Proto-oncogene tyrosine-protein kinase Src | Authors: | Wan, X, Ouyang, S, Zhao, Q, Taunton, J. | Deposit date: | 2016-05-31 | Release date: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes. J. Am. Chem. Soc., 139, 2017
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4R11
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![BU of 4r11 by Molmil](/molmil-images/mine/4r11) | A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo | Descriptor: | Cadherin-related hmr-1, IODIDE ION, Protein humpback-2 | Authors: | Choi, H.-J, Loveless, T, Lynch, A, Bang, I, Hardin, J, Weis, W.I. | Deposit date: | 2014-08-03 | Release date: | 2015-04-29 | Method: | X-RAY DIFFRACTION (2.789 Å) | Cite: | A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo Dev.Cell, 33, 2015
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5XZE
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![BU of 5xze by Molmil](/molmil-images/mine/5xze) | Mouse cGAS bound to the inhibitor RU332 | Descriptor: | (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | Authors: | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | Deposit date: | 2017-07-12 | Release date: | 2017-10-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.177 Å) | Cite: | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice. Nat Commun, 8, 2017
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4QRU
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![BU of 4qru by Molmil](/molmil-images/mine/4qru) | Crystal Structure of HLA B*0801 in complex with ELR_MYM, ELRRKMMYM | Descriptor: | 55 kDa immediate-early protein 1, ACETATE ION, Beta-2-microglobulin, ... | Authors: | Gras, S, Twist, K.-A, Rossjohn, J. | Deposit date: | 2014-07-02 | Release date: | 2015-02-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire. Sci Rep, 4, 2014
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6CW6
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![BU of 6cw6 by Molmil](/molmil-images/mine/6cw6) | Structure of alpha-GC[8,18] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | (2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-03-29 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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1X3E
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![BU of 1x3e by Molmil](/molmil-images/mine/1x3e) | Crystal structure of the single-stranded DNA-binding protein from Mycobacterium smegmatis | Descriptor: | CADMIUM ION, Single-strand binding protein | Authors: | Saikrishnan, K, Manjunath, G.P, Singh, P, Jeyakanthan, J, Dauter, Z, Sekar, K, Muniyappa, K, Vijayan, M. | Deposit date: | 2005-05-04 | Release date: | 2005-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of Mycobacterium smegmatis single-stranded DNA-binding protein and a comparative study involving homologus SSBs: biological implications of structural plasticity and variability in quaternary association. Acta Crystallogr.,Sect.D, 61, 2005
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5JV1
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![BU of 5jv1 by Molmil](/molmil-images/mine/5jv1) | Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-066 | Descriptor: | Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2016-05-10 | Release date: | 2017-03-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase. J. Med. Chem., 60, 2017
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4NGP
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![BU of 4ngp by Molmil](/molmil-images/mine/4ngp) | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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6CXE
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![BU of 6cxe by Molmil](/molmil-images/mine/6cxe) | Structure of alpha-GSA[26,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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5C5Y
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6PJW
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![BU of 6pjw by Molmil](/molmil-images/mine/6pjw) | Adenylate kinase from Methanococcus igneus - AMP bound form | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenylate kinase, MAGNESIUM ION | Authors: | Moon, S, Kim, J, Olmos, J.L, Bae, E, Phillips Jr, G.N. | Deposit date: | 2019-06-28 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Adenylate kinase from Methanococcus igneus - AMP bound form To Be Published
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2YPN
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![BU of 2ypn by Molmil](/molmil-images/mine/2ypn) | Hydroxymethylbilane synthase | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, PROTEIN (HYDROXYMETHYLBILANE SYNTHASE) | Authors: | Nieh, Y.P, Raftery, J, Weisgerber, S, Habash, J, Schotte, F, Ursby, T, Wulff, M, Haedener, A, Campbell, J.W, Hao, Q, Helliwell, J.R. | Deposit date: | 1999-01-11 | Release date: | 1999-02-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Accurate and highly complete synchrotron protein crystal Laue diffraction data using the ESRF CCD and the Daresbury Laue software J.Synchrotron Radiat., 6, 1999
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2YG1
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![BU of 2yg1 by Molmil](/molmil-images/mine/2yg1) | APO STRUCTURE OF CELLOBIOHYDROLASE 1 (CEL7A) FROM HETEROBASIDION ANNOSUM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, MAGNESIUM ION | Authors: | Haddad-Momeni, M, Hansson, H, Mikkelsen, N.E, Wang, X, Svedberg, J, Sandgren, M, Stahlberg, J. | Deposit date: | 2011-04-11 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural, Biochemical, and Computational Characterization of the Glycoside Hydrolase Family 7 Cellobiohydrolase of the Tree-Killing Fungus Heterobasidion Irregulare. J.Biol.Chem., 288, 2013
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2Y7J
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![BU of 2y7j by Molmil](/molmil-images/mine/2y7j) | Structure of human phosphorylase kinase, gamma 2 | Descriptor: | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, PHOSPHORYLASE B KINASE GAMMA CATALYTIC CHAIN, TESTIS/LIVER ISOFORM | Authors: | Muniz, J.R.C, Shrestha, A, Savitsky, P, Wang, J, Rellos, P, Fedorov, O, Burgess-Brown, N, Brenner, B, Berridge, G, Elkins, J.M, Krojer, T, Vollmar, M, Che, K.H, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2011-01-31 | Release date: | 2011-02-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Human Phosphorylase Kinase, Gamma 2 To be Published
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3F82
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![BU of 3f82 by Molmil](/molmil-images/mine/3f82) | |