6QJO
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![BU of 6qjo by Molmil](/molmil-images/mine/6qjo) | DNA containing both right- and left-handed parallel-stranded G-quadruplexes | Descriptor: | DNA (28-MER), POTASSIUM ION | Authors: | Winnerdy, F.R, Bakalar, B, Maity, A, Vandana, J.J, Schmitt, E, Mechulam, Y, Phan, A.T. | Deposit date: | 2019-01-24 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | NMR solution and X-ray crystal structures of a DNA molecule containing both right- and left-handed parallel-stranded G-quadruplexes. Nucleic Acids Res., 47, 2019
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6Q7D
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![BU of 6q7d by Molmil](/molmil-images/mine/6q7d) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13 | Descriptor: | 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-12-13 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.978 Å) | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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3CWY
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![BU of 3cwy by Molmil](/molmil-images/mine/3cwy) | Structure of CagD from H. pylori pathogenicity island crystallized in the presence of Cu(II) ions | Descriptor: | COPPER (II) ION, protein CagD | Authors: | Cendron, L, Zanotti, G, Angelini, A, Barison, N, Couturier, M, Stein, M. | Deposit date: | 2008-04-23 | Release date: | 2008-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The Helicobacter pylori CagD (HP0545, Cag24) protein is essential for CagA translocation and maximal induction of interleukin-8 secretion. J.Mol.Biol., 386, 2009
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6Q8D
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![BU of 6q8d by Molmil](/molmil-images/mine/6q8d) | Structure of Fucosylated D-antimicrobial peptide SB15 in complex with the Fucose-binding lectin PA-IIL at 1.630 Angstrom resolution | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.-L. | Deposit date: | 2018-12-14 | Release date: | 2019-03-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes. Acs Chem.Biol., 14, 2019
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5ISJ
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![BU of 5isj by Molmil](/molmil-images/mine/5isj) | |
4Y3D
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![BU of 4y3d by Molmil](/molmil-images/mine/4y3d) | |
6QAL
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![BU of 6qal by Molmil](/molmil-images/mine/6qal) | ERK2 mini-fragment binding | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QAQ
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![BU of 6qaq by Molmil](/molmil-images/mine/6qaq) | ERK2 mini-fragment binding | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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4Y4U
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![BU of 4y4u by Molmil](/molmil-images/mine/4y4u) | Endothiapepsin in complex with fragment 14 | Descriptor: | 1-(4-bromo-2-chlorophenyl)-3-methylthiourea, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.754 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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6QAW
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![BU of 6qaw by Molmil](/molmil-images/mine/6qaw) | ERK2 mini-fragment binding | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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2UYY
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![BU of 2uyy by Molmil](/molmil-images/mine/2uyy) | Structure of the cytokine-like nuclear factor n-pac | Descriptor: | N-PAC PROTEIN, POTASSIUM ION, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | Authors: | Tickle, J, Pilka, E.S, Bunkoczi, G, Berridge, G, Smee, C, Kavanagh, K.L, Hozjan, V, Niesen, F.H, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U. | Deposit date: | 2007-04-20 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Structure of the Cytokine-Like Nuclear Factor N-Pac To be Published
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1GVN
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![BU of 1gvn by Molmil](/molmil-images/mine/1gvn) | Crystal Structure of the Plasmid Maintenance System epsilon/zeta: Meachnism of toxin inactivation and toxin function | Descriptor: | EPSILON, SULFATE ION, ZETA | Authors: | Meinhart, A, Alonso, J.C, Straeter, N, Saenger, W. | Deposit date: | 2002-02-19 | Release date: | 2003-01-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of the Plasmid Maintenance System Epsilon /Zeta : Functional Mechanism of Toxin Zeta and Inactivation by Epsilon 2 Zeta 2 Complex Formation Proc.Natl.Acad.Sci.USA, 100, 2003
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2V4M
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![BU of 2v4m by Molmil](/molmil-images/mine/2v4m) | The isomerase domain of human glutamine-fructose-6-phosphate transaminase 1 (GFPT1) in complex with fructose 6-phosphate | Descriptor: | CHLORIDE ION, FRUCTOSE -6-PHOSPHATE, GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE AMINOTRANSFERASE [ISOMERIZING] 1 | Authors: | Moche, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, S, Schueler, H, Thorsell, A.G, Tresaugues, L, Uppenberg, J, Van Den Berg, S, Welin, M, Wisniewska, M, Weigelt, J, Nordlund, P, Wikstrom, M. | Deposit date: | 2008-09-26 | Release date: | 2008-10-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | The Isomerase Domain of Human Gfpt1 in Complex with Fructose 6-Phosphate To be Published
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6QEE
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1Q09
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![BU of 1q09 by Molmil](/molmil-images/mine/1q09) | Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator (space group I4122) | Descriptor: | SULFATE ION, ZINC ION, Zn(II)-responsive regulator of zntA | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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6QAY
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1Q06
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![BU of 1q06 by Molmil](/molmil-images/mine/1q06) | Crystal structure of the Ag(I) form of E. coli CueR, a copper efflux regulator | Descriptor: | SILVER ION, Transcriptional regulator cueR | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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6OUK
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1H6U
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![BU of 1h6u by Molmil](/molmil-images/mine/1h6u) | Internalin H: crystal structure of fused N-terminal domains. | Descriptor: | INTERNALIN H | Authors: | Schubert, W.-D, Gobel, G, Diepholz, M, Darji, A, Kloer, D, Hain, T, Chakraborty, T, Wehland, J, Domann, E, Heinz, D.W. | Deposit date: | 2001-06-25 | Release date: | 2001-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Internalins from the human pathogen Listeria monocytogenes combine three distinct folds into a contiguous internalin domain. J.Mol.Biol., 312, 2001
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2WEV
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![BU of 2wev by Molmil](/molmil-images/mine/2wev) | Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design | Descriptor: | ARG-ARG-B3L-MEA, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ... | Authors: | Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M. | Deposit date: | 2009-04-01 | Release date: | 2009-06-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Truncation and Optimisation of Peptide Inhibitors of Cyclin-Dependent Kinase 2-Cyclin a Through Structure-Guided Design. Chemmedchem, 4, 2009
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2W4M
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![BU of 2w4m by Molmil](/molmil-images/mine/2w4m) | The Crystal Structure of human N-acetylneuraminic acid phosphatase, NANP | Descriptor: | CHLORIDE ION, N-ACYLNEURAMINATE-9-PHOSPHATASE, PHOSPHATE ION, ... | Authors: | Ugochukwu, E, Cocking, R, Yue, W.W, Pike, A.C.W, Roos, A, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | Deposit date: | 2008-11-28 | Release date: | 2008-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Crystal Structure of Human N-Acetylneuraminic Acid Phosphatase, Nanp To be Published
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6OCI
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![BU of 6oci by Molmil](/molmil-images/mine/6oci) | Crystal Structure of Equine Serum Albumin in Complex with Ibuprofen | Descriptor: | FORMIC ACID, IBUPROFEN, SUCCINIC ACID, ... | Authors: | Sekula, B, Zielinski, K, Bujacz, A, Bujacz, G. | Deposit date: | 2019-03-24 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural investigations of stereoselective profen binding by equine and leporine serum albumins. Chirality, 32, 2020
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6E3Y
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![BU of 6e3y by Molmil](/molmil-images/mine/6e3y) | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor | Descriptor: | Calcitonin gene-related peptide 1, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liang, Y.L, Khoshouei, M, Deganutti, G, Glukhova, A, Koole, C, Peat, T.S, Radjainia, M, Plitzko, J.M, Baumeister, W, Miller, L.J, Hay, D.L, Christopoulos, A, Reynolds, C.A, Wootten, D, Sexton, P.M. | Deposit date: | 2018-07-16 | Release date: | 2018-09-19 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor. Nature, 561, 2018
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6ON3
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![BU of 6on3 by Molmil](/molmil-images/mine/6on3) | A substrate bound structure of L-DOPA dioxygenase from Streptomyces sclerotialus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4-DIHYDROXYPHENYLALANINE, FE (II) ION, ... | Authors: | Wang, Y, Shin, I, Fu, Y, Colabroy, K, Liu, A. | Deposit date: | 2019-04-19 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structures of L-DOPA Dioxygenase fromStreptomyces sclerotialus. Biochemistry, 58, 2019
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6ONO
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![BU of 6ono by Molmil](/molmil-images/mine/6ono) | Complex structure of WhiB1 and region 4 of SigA in C2221 space group | Descriptor: | DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ... | Authors: | Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M. | Deposit date: | 2019-04-22 | Release date: | 2019-11-27 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis. Nucleic Acids Res., 48, 2020
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