6I61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i61 by Molmil](/molmil-images/mine/6i61) | Crystal structure of human ERRg LBD in complex with bisphenol-B | Descriptor: | 1,2-ETHANEDIOL, Estrogen-related receptor gamma, GLYCEROL, ... | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | Deposit date: | 2018-11-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors. Cell.Mol.Life Sci., 76, 2019
|
|
4QF7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qf7 by Molmil](/molmil-images/mine/4qf7) | Crystal Structure of the Complex of Phospholipase A2 with Corticosterone at 1.48 A Resolution | Descriptor: | CORTICOSTERONE, Phospholipase A2 VRV-PL-VIIIa | Authors: | Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-05-20 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structures and binding studies of the complexes of phospholipase A2 with five inhibitors Biochim.Biophys.Acta, 1854, 2015
|
|
2JLZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jlz by Molmil](/molmil-images/mine/2jlz) | Dengue virus 4 NS3 helicase in complex with ssRNA and ADP | Descriptor: | 5'-R(*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J. | Deposit date: | 2008-09-15 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein. Embo J., 27, 2008
|
|
6YYH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yyh by Molmil](/molmil-images/mine/6yyh) | Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum in ligand-free form | Descriptor: | 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ... | Authors: | Lafite, P, Daniellou, R, Bretagne, D. | Deposit date: | 2020-05-05 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis. Biochimie, 181, 2020
|
|
1KPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kpz by Molmil](/molmil-images/mine/1kpz) | |
1G4E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g4e by Molmil](/molmil-images/mine/1g4e) | THIAMIN PHOSPHATE SYNTHASE | Descriptor: | THIAMIN PHOSPHATE SYNTHASE | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-10-26 | Release date: | 2001-09-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase. Biochemistry, 40, 2001
|
|
7OVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ovw by Molmil](/molmil-images/mine/7ovw) | Binding domain of botulinum neurotoxin E in complex with GD1a | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Neurotoxin type E | Authors: | Masuyer, G, Stenmark, P. | Deposit date: | 2021-06-15 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism of Ganglioside Receptor Recognition by Botulinum Neurotoxin Serotype E. Int J Mol Sci, 22, 2021
|
|
3JBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jbb by Molmil](/molmil-images/mine/3jbb) | Characterization of red-shifted phycobiliprotein complexes isolated from the chlorophyll f-containing cyanobacterium Halomicronema hongdechloris | Descriptor: | PHYCOCYANOBILIN, SULFATE ION, allophycocyanin beta chain, ... | Authors: | Li, Y, Lin, Y, Garvey, C, Birch, D, Corkery, R.W, Loughlin, P.C, Scheer, H, Willows, R.D, Chen, M. | Deposit date: | 2015-08-26 | Release date: | 2015-11-11 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (26 Å) | Cite: | Characterization of red-shifted phycobilisomes isolated from the chlorophyll f-containing cyanobacterium Halomicronema hongdechloris. Biochim.Biophys.Acta, 1857, 2015
|
|
6YZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yzs by Molmil](/molmil-images/mine/6yzs) | Carborane closo-pentyl-sulfonamide in complex with CA II | Descriptor: | Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, SODIUM ION, ... | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
|
|
3OSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3osz by Molmil](/molmil-images/mine/3osz) | Crystal Structure of the complex of proteinase K with an antimicrobial nonapeptide, at 2.26 A resolution | Descriptor: | 10-mer peptide, CALCIUM ION, NITRATE ION, ... | Authors: | Singh, A, Sinha, M, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2010-09-10 | Release date: | 2010-10-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal Structure of the complex of proteinase K with an antimicrobial nonapeptide, at 2.26 A resolution To be Published
|
|
6BYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6byi by Molmil](/molmil-images/mine/6byi) | Crystal structure of the acid-base mutant (E477A) of the GH2 exo-beta-mannanase from Xanthomonas axonopodis pv. citri | Descriptor: | Beta-mannosidase, beta-D-mannopyranose | Authors: | Domingues, M.N, Vieira, P.S, Morais, M.A.B, Murakami, M.T. | Deposit date: | 2017-12-20 | Release date: | 2018-07-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of exo-beta-mannanase activity in the GH2 family. J. Biol. Chem., 293, 2018
|
|
1G5C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g5c by Molmil](/molmil-images/mine/1g5c) | CRYSTAL STRUCTURE OF THE 'CAB' TYPE BETA CLASS CARBONIC ANHYDRASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-CARBONIC ANHYDRASE, CALCIUM ION, ... | Authors: | Strop, P, Smith, K.S, Iverson, T.M, Ferry, J.G, Rees, D.C. | Deposit date: | 2000-10-31 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the "cab"-type beta class carbonic anhydrase from the archaeon Methanobacterium thermoautotrophicum. J.Biol.Chem., 276, 2001
|
|
5GVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gvl by Molmil](/molmil-images/mine/5gvl) | Plasmodium vivax SHMT bound with PLP-glycine and GS182 | Descriptor: | (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
|
|
6ZA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6za0 by Molmil](/molmil-images/mine/6za0) | Structure of the transcriptional repressor Atu1419 (VanR) in complex with a fortuitous citrate from agrobacterium fabrum (P21212 space group) | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Morera, S, Vigouroux, A, Legrand, P. | Deposit date: | 2020-06-04 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum. Nucleic Acids Res., 49, 2021
|
|
6IA3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ia3 by Molmil](/molmil-images/mine/6ia3) | urate oxidase under 220 bar (22 MPa) of argon | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8-AZAXANTHINE, ARGON, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | Deposit date: | 2018-11-26 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D, 78, 2022
|
|
6BRD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6brd by Molmil](/molmil-images/mine/6brd) | Crystal structure of rifampin monooxygenase from Streptomyces venezuelae, complexed with rifampin and FAD | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Cox, G, Kelso, J, Stogios, P.J, Savchenko, A, Anderson, W.F, Wright, G.D, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-11-30 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Rox, a Rifamycin Resistance Enzyme with an Unprecedented Mechanism of Action. Cell Chem Biol, 25, 2018
|
|
1BWQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bwq by Molmil](/molmil-images/mine/1bwq) | PROBING THE SUBSTRATE SPECIFICITY OF THE INTRACELLULAR BRAIN PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE | Descriptor: | PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE | Authors: | Ho, Y.S, Sheffield, P.J, Masuyama, J, Arai, H, Li, J, Aoki, J, Inoue, K, Derewenda, U, Derewenda, Z. | Deposit date: | 1998-09-27 | Release date: | 1999-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Probing the Substrate Specificity of the Intracellular Brain Platelet-Activating Factor Acetylhydrolase Protein Eng., 12, 1999
|
|
3ZK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zk6 by Molmil](/molmil-images/mine/3zk6) | Crystal structure of Bcl-xL in complex with inhibitor (Compound 2). | Descriptor: | BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide | Authors: | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | Deposit date: | 2013-01-22 | Release date: | 2013-04-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure-Guided Design of a Selective Bcl-Xl Inhibitor Nat.Chem.Biol., 9, 2013
|
|
2JRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jrq by Molmil](/molmil-images/mine/2jrq) | NMR solution structure of the anticodon of E. coli TRNA-VAL3 with 1 modification (cmo5U34) | Descriptor: | 5'-R(*CP*CP*UP*CP*CP*CP*UP*(CM0)P*AP*CP*AP*AP*GP*GP*AP*GP*G)-3' | Authors: | Vendeix, F.A.P, Dziergowska, A, Gustilo, E.M, Graham, W.D, Sproat, B, Malkiewicz, A, Agris, P.F. | Deposit date: | 2007-06-28 | Release date: | 2007-07-24 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Wobble-Position Modifications Pre-structure tRNA's Anticodon for Ribosome-Mediated Codon Binding To be Published
|
|
4YEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yee by Molmil](/molmil-images/mine/4yee) | beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclodextrin | Descriptor: | 5'-AMP-activated protein kinase subunit beta-2, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose, GLYCEROL | Authors: | Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M. | Deposit date: | 2015-02-24 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase. Biochem.J., 468, 2015
|
|
4YFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yfk by Molmil](/molmil-images/mine/4yfk) | Escherichia coli RNA polymerase in complex with squaramide compound 8. | Descriptor: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | Deposit date: | 2015-02-25 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.571 Å) | Cite: | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein. J.Med.Chem., 58, 2015
|
|
5AEB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aeb by Molmil](/molmil-images/mine/5aeb) | Crystal structure of the class B3 di-zinc metallo-beta-lactamase LRA- 12 from an Alaskan soil metagenome. | Descriptor: | COBALT (II) ION, LRA-12, SULFATE ION, ... | Authors: | Power, P, Herman, R, Kerff, F, Bouillenne, F, Rodriguez, M.M, Galleni, M, Handelsman, J, Gutkind, G, Charlier, P, Sauvage, E. | Deposit date: | 2015-08-27 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and kinetic analysis of the class B3 di-zinc metallo-beta-lactamase LRA-12 from an Alaskan soil metagenome. PLoS ONE, 12, 2017
|
|
5A7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a7x by Molmil](/molmil-images/mine/5a7x) | negative stain EM of BG505 SOSIP.664 in complex with sCD4, 17b, and 8ANC195 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB OF BROADLY NEUTRALIZING ANTIBODY 17B, FAB OF BROADLY NEUTRALIZING ANTIBODY 8ANC195, ... | Authors: | Scharf, L, Wang, H, Gao, H, Chen, S, McDowall, A, Bjorkman, P. | Deposit date: | 2015-07-10 | Release date: | 2015-08-05 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (17 Å) | Cite: | Broadly Neutralizing Antibody 8Anc195 Recognizes Closed and Open States of HIV-1 Env. Cell(Cambridge,Mass.), 162, 2015
|
|
1BRK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1brk by Molmil](/molmil-images/mine/1brk) | BARNASE MUTANT WITH ILE 96 REPLACED BY ALA | Descriptor: | BARNASE, ZINC ION | Authors: | Cramer, P.C, Buckle, A, Fersht, A. | Deposit date: | 1995-03-09 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and energetic responses to cavity-creating mutations in hydrophobic cores: observation of a buried water molecule and the hydrophilic nature of such hydrophobic cavities. Biochemistry, 35, 1996
|
|
1BXX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bxx by Molmil](/molmil-images/mine/1bxx) | |