4PXJ
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4NR4
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![BU of 4nr4 by Molmil](/molmil-images/mine/4nr4) | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | Descriptor: | 1,2-ETHANEDIOL, 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole, CREB-binding protein, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-26 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand TO BE PUBLISHED
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6K9Q
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![BU of 6k9q by Molmil](/molmil-images/mine/6k9q) | Structure of the native supercoiled hook as a universal joint | Descriptor: | Flagellar hook protein FlgE | Authors: | Kato, T, Miyata, T, Makino, F, Horvath, P, Namba, K. | Deposit date: | 2019-06-17 | Release date: | 2020-02-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the native supercoiled flagellar hook as a universal joint. Nat Commun, 10, 2019
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3KXP
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![BU of 3kxp by Molmil](/molmil-images/mine/3kxp) | Crystal Structure of E-2-(Acetamidomethylene)succinate Hydrolase | Descriptor: | Alpha-(N-acetylaminomethylene)succinic acid hydrolase, CHLORIDE ION | Authors: | McCulloch, K.M, Mukherjee, T, Begley, T.P, Ealick, S.E. | Deposit date: | 2009-12-03 | Release date: | 2010-02-09 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure determination and characterization of the vitamin B(6) degradative enzyme (E)-2-(acetamidomethylene)succinate hydrolase. Biochemistry, 49, 2010
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4NWN
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![BU of 4nwn by Molmil](/molmil-images/mine/4nwn) | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T32-28 | Descriptor: | Propanediol utilization: polyhedral bodies pduT, Uncharacterized protein | Authors: | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | Deposit date: | 2013-12-06 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Accurate design of co-assembling multi-component protein nanomaterials. Nature, 510, 2014
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6KK3
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![BU of 6kk3 by Molmil](/molmil-images/mine/6kk3) | Crystal structure of Zika NS2B-NS3 protease with compound 4 | Descriptor: | 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine, Genome polyprotein | Authors: | Quek, J.P. | Deposit date: | 2019-07-23 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses. Chemmedchem, 15, 2020
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1GGH
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![BU of 1ggh by Molmil](/molmil-images/mine/1ggh) | CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, HIS128ALA VARIANT. | Descriptor: | CATALASE HPII, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C. | Deposit date: | 2000-08-21 | Release date: | 2000-08-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli. Proteins, 44, 2001
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3BE2
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![BU of 3be2 by Molmil](/molmil-images/mine/3be2) | Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor | Descriptor: | N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Gu, Y, Rose, P, Zhao, H. | Deposit date: | 2007-11-16 | Release date: | 2008-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation. J.Med.Chem., 51, 2008
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3M02
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![BU of 3m02 by Molmil](/molmil-images/mine/3m02) | The Crystal Structure of 5-epi-aristolochene synthase complexed with (2-cis,6-trans)-2-fluorofarnesyl diphosphate | Descriptor: | (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION | Authors: | Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E. | Deposit date: | 2010-03-02 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates. Acs Chem.Biol., 5, 2010
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6KK6
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![BU of 6kk6 by Molmil](/molmil-images/mine/6kk6) | Crystal structure of Zika NS2B-NS3 protease with compound 16 | Descriptor: | 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, GLYCEROL, NS3 protease, ... | Authors: | Quek, J.P. | Deposit date: | 2019-07-23 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses. Chemmedchem, 15, 2020
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7XRF
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![BU of 7xrf by Molmil](/molmil-images/mine/7xrf) | Crystal structaure of DgpB/C complex | Descriptor: | AP_endonuc_2 domain-containing protein, DgpB, MANGANESE (II) ION | Authors: | Ma, M, He, P. | Deposit date: | 2022-05-10 | Release date: | 2023-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase. Acta Pharm Sin B, 13, 2023
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7XRE
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![BU of 7xre by Molmil](/molmil-images/mine/7xre) | Crystal structure of DgpA | Descriptor: | DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Ma, W, He, P. | Deposit date: | 2022-05-10 | Release date: | 2023-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase. Acta Pharm Sin B, 13, 2023
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3KH9
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![BU of 3kh9 by Molmil](/molmil-images/mine/3kh9) | Crystal structure of the periplasmic soluble domain of oxidized CcmG from Pseudomonas aeruginosa | Descriptor: | Thiol:disulfide interchange protein dsbE | Authors: | Di Matteo, A, Calosci, N, Gianni, S, Jemth, P, Brunori, M, Travaglini Allocatelli, C. | Deposit date: | 2009-10-30 | Release date: | 2010-04-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional characterization of CcmG from Pseudomonas aeruginosa, a key component of the bacterial cytochrome c maturation apparatus. Proteins, 78, 2010
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5OOE
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![BU of 5ooe by Molmil](/molmil-images/mine/5ooe) | Cryo-EM structure of F-actin in complex with AppNHp (AMPPNP) | Descriptor: | Actin, alpha skeletal muscle, MAGNESIUM ION, ... | Authors: | Merino, F, Pospich, S, Funk, J, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S. | Deposit date: | 2017-08-07 | Release date: | 2018-06-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM. Nat. Struct. Mol. Biol., 25, 2018
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3KH7
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![BU of 3kh7 by Molmil](/molmil-images/mine/3kh7) | Crystal structure of the periplasmic soluble domain of reduced CcmG from Pseudomonas aeruginosa | Descriptor: | Thiol:disulfide interchange protein dsbE | Authors: | Di Matteo, A, Calosci, N, Gianni, S, Jemth, P, Brunori, M, Travaglini Allocatelli, C. | Deposit date: | 2009-10-30 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and functional characterization of CcmG from Pseudomonas aeruginosa, a key component of the bacterial cytochrome c maturation apparatus. Proteins, 78, 2010
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3EIF
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![BU of 3eif by Molmil](/molmil-images/mine/3eif) | 1.9 angstrom crystal structure of the active form of the C5a peptidase from Streptococcus pyogenes (ScpA) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ... | Authors: | Cooney, J.C, Kagawa, T.F, O'Connell, M.R, Paoli, M, Mouat, P, O'Toole, P.W. | Deposit date: | 2008-09-15 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Model for Substrate Interactions in C5a Peptidase from Streptococcus pyogenes: A 1.9 A Crystal Structure of the Active Form of ScpA J.Mol.Biol., 386, 2009
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3KHS
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![BU of 3khs by Molmil](/molmil-images/mine/3khs) | Crystal structure of grouper iridovirus purine nucleoside phosphorylase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Kang, Y.N, Zhang, Y, Allan, P.W, Parker, W.B, Ting, J.W, Chang, C.Y, Ealick, S.E. | Deposit date: | 2009-10-30 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure of grouper iridovirus purine nucleoside phosphorylase Acta Crystallogr.,Sect.D, 66, 2010
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7XQ7
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![BU of 7xq7 by Molmil](/molmil-images/mine/7xq7) | The complex structure of WT-Mpro | Descriptor: | 3C-like proteinase nsp5, SODIUM ION | Authors: | Sahoo, P, Lenka, D.R, Kumar, A. | Deposit date: | 2022-05-06 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Acs Pharmacol Transl Sci, 6, 2023
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7XQ6
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![BU of 7xq6 by Molmil](/molmil-images/mine/7xq6) | The complex structure of mutant Mpro with inhibitor | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Sahoo, P, Lenka, D.R, Kumar, A. | Deposit date: | 2022-05-06 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Acs Pharmacol Transl Sci, 6, 2023
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3O4M
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![BU of 3o4m by Molmil](/molmil-images/mine/3o4m) | Crystal structure of porcine pancreatic phospholipase A2 in complex with 1,2-dihydroxybenzene | Descriptor: | CALCIUM ION, CATECHOL, Phospholipase A2, ... | Authors: | Dileep, K.V, Tintu, I, Karthe, P, Mandal, P.K, Haridas, M, Sadasivan, C. | Deposit date: | 2010-07-27 | Release date: | 2010-08-25 | Last modified: | 2011-11-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Binding to PLA(2) may contribute to the anti-inflammatory activity of catechol Chem.Biol.Drug Des., 2011
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4NRX
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6D0T
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![BU of 6d0t by Molmil](/molmil-images/mine/6d0t) | De novo design of a fluorescence-activating beta barrel - BB1 | Descriptor: | BB1 | Authors: | Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D. | Deposit date: | 2018-04-10 | Release date: | 2018-09-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | De novo design of a fluorescence-activating beta-barrel. Nature, 561, 2018
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1GK6
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![BU of 1gk6 by Molmil](/molmil-images/mine/1gk6) | Human vimentin coil 2B fragment linked to GCN4 leucine zipper (Z2B) | Descriptor: | VIMENTIN | Authors: | Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P. | Deposit date: | 2001-08-08 | Release date: | 2002-03-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly. Embo J., 21, 2002
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4TTV
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![BU of 4ttv by Molmil](/molmil-images/mine/4ttv) | Crystal structure of human ThrRS complexing with a bioengineered macrolide BC194 | Descriptor: | (1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid, Threonine--tRNA ligase, cytoplasmic, ... | Authors: | Fang, P, Guo, M. | Deposit date: | 2014-06-23 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Aminoacyl-tRNA synthetase dependent angiogenesis revealed by a bioengineered macrolide inhibitor. Sci Rep, 5, 2015
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4NXJ
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![BU of 4nxj by Molmil](/molmil-images/mine/4nxj) | Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum | Descriptor: | Bromodomain protein | Authors: | Wernimont, A.K, Loppnau, P, Knapp, S, Fonseca, M, Brennan, P.E, Dong, A, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-09 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum TO BE PUBLISHED
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