5J7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j7a by Molmil](/molmil-images/mine/5j7a) | Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | Authors: | Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J. | Deposit date: | 2016-04-06 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography. Nat Commun, 7, 2016
|
|
3P9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p9u by Molmil](/molmil-images/mine/3p9u) | Crystal structure of TetX2 from Bacteroides thetaiotaomicron with substrate analogue | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein | Authors: | Walkiewicz, K, Davlieva, M, Sun, C, Lau, K, Shamoo, Y. | Deposit date: | 2010-10-18 | Release date: | 2011-04-27 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of Bacteroides thetaiotaomicron TetX2: a tetracycline degrading monooxygenase at 2.8 A resolution. Proteins, 79, 2011
|
|
7CVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cvr by Molmil](/molmil-images/mine/7cvr) | Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine | Descriptor: | (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Stanfield, J.K, Sugimoto, H, Shoji, O. | Deposit date: | 2020-08-26 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine at 1.60 Angstrom Resolution To Be Published
|
|
6ECR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ecr by Molmil](/molmil-images/mine/6ecr) | |
6F5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f5t by Molmil](/molmil-images/mine/6f5t) | Crystal Structure of KDM4D with tetrazole ligand GF057 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-12-02 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal Structure of KDM4D with tetrazole ligand To be published
|
|
5T7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t7o by Molmil](/molmil-images/mine/5t7o) | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | Authors: | Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S. | Deposit date: | 2016-09-05 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE To Be Published
|
|
4A6N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a6n by Molmil](/molmil-images/mine/4a6n) | STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH TIGECYCLINE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TETX2 PROTEIN, ... | Authors: | Volkers, G, Palm, G.J, Weiss, M.S, Hinrichs, W. | Deposit date: | 2011-11-07 | Release date: | 2012-11-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Putative Dioxygen-Binding Sites and Recognition of Tigecycline and Minocycline in the Tetracycline-Degrading Monooxygenase Tetx Acta Crystallogr.,Sect.D, 69, 2013
|
|
3IJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ijd by Molmil](/molmil-images/mine/3ijd) | Uncharacterized protein Cthe_2304 from Clostridium thermocellum binds two copies of 5-methyl-5,6,7,8-tetrahydrofolic acid | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, uncharacterized protein | Authors: | Bonanno, J.B, Gilmore, M, Bain, K.T, Miller, S, Ozyurt, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-08-04 | Release date: | 2009-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Uncharacterized protein Cthe_2304 from Clostridium thermocellum binds two copies of 5-methyl-5,6,7,8-tetrahydrofolic acid To be Published
|
|
6ETE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ete by Molmil](/molmil-images/mine/6ete) | Crystal structure of KDM4D with tetrazolhydrazide compound 5 | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, NICKEL (II) ION, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2017-10-26 | Release date: | 2019-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.468 Å) | Cite: | Crystal structure of KDM4D with tetrazolylhydrazide ligand NR128 To be published
|
|
2LML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lml by Molmil](/molmil-images/mine/2lml) | Solution NMR structure of holo acyl carrier protein from geobacter Metallireducens refined with nh rdcs, Northeast Structural Genomics consortium target gmr141 | Descriptor: | 4'-PHOSPHOPANTETHEINE, Putative acyl carrier protein | Authors: | Ramelot, T.A, Smola, M.J, Lee, H, Zhao, L, Ciccosanti, C, Foote, E.L, Hamilton, K, Nair, R, Rost, B, Swapna, G, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-12-05 | Release date: | 2012-01-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution structure of 4'-phosphopantetheine - GmACP3 from Geobacter metallireducens: a specialized acyl carrier protein with atypical structural features and a putative role in lipopolysaccharide biosynthesis. Biochemistry, 50, 2011
|
|
6H10
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h10 by Molmil](/molmil-images/mine/6h10) | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.104 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 To be published
|
|
3IQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3iqf by Molmil](/molmil-images/mine/3iqf) | Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methenyl-tetrahydromethanopterin | Descriptor: | 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, CALCIUM ION, F420-dependent methylenetetrahydromethanopterin dehydrogenase, ... | Authors: | Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U. | Deposit date: | 2009-08-20 | Release date: | 2009-10-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase Biochemistry, 48, 2009
|
|
4CTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ctb by Molmil](/molmil-images/mine/4ctb) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20- tetrahydro-7,11-(azeno)pyrido(2',1':2,3)imidazo(4,5-h)(2,5,11) benzoxadiazacyclotetradecine-14-carbonitrile | Descriptor: | (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | Deposit date: | 2014-03-12 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
|
|
2O7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o7n by Molmil](/molmil-images/mine/2o7n) | CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | Descriptor: | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile, Integrin alpha-L | Authors: | Sheriff, S. | Deposit date: | 2006-12-11 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold. Bioorg.Med.Chem.Lett., 17, 2007
|
|
5Z25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z25 by Molmil](/molmil-images/mine/5z25) | Trimeric Alpha-Helix-Inserted Circular Permutant of Cytochrome c555 | Descriptor: | Cytochrome c552, HEME C, TETRAETHYLENE GLYCOL | Authors: | Oda, A, Nagao, S, Yamanaka, M, Ueda, I, Shibata, N, Higuchi, Y, Hirota, S. | Deposit date: | 2017-12-28 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Construction of a Triangle-Shaped Trimer and a Tetrahedron Using an alpha-Helix-Inserted Circular Permutant of Cytochrome c555. Chem Asian J, 13, 2018
|
|
4QKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qkq by Molmil](/molmil-images/mine/4qkq) | |
3F3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f3m by Molmil](/molmil-images/mine/3f3m) | |
1I30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i30 by Molmil](/molmil-images/mine/1i30) | E. Coli Enoyl Reductase +NAD+SB385826 | Descriptor: | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Seefeld, M.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | Deposit date: | 2001-02-12 | Release date: | 2002-02-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents. Bioorg.Med.Chem.Lett., 11, 2001
|
|
5FQV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fqv by Molmil](/molmil-images/mine/5fqv) | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 5. | Descriptor: | (E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | Authors: | Scott, J.S, bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
|
|
4ISK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4isk by Molmil](/molmil-images/mine/4isk) | Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, MAGNESIUM ION, ... | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2013-01-16 | Release date: | 2013-12-25 | Last modified: | 2014-02-12 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Development and Binding Mode Assessment of N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic Acid (BGC 945), a Novel Thymidylate Synthase Inhibitor That Targets Tumor Cells. J.Med.Chem., 56, 2013
|
|
5SUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5suw by Molmil](/molmil-images/mine/5suw) | Crystal Structure of ToxT from Vibrio Cholerae O395 bound to 3-(8-Methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid, TCP pilus virulence regulatory protein | Authors: | Kull, F.J, Kelley, A.R. | Deposit date: | 2016-08-04 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of ToxT from Vibrio Cholerae O395 bound to 3-(8-Methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid To Be Published
|
|
3P82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p82 by Molmil](/molmil-images/mine/3p82) | |
3P80
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p80 by Molmil](/molmil-images/mine/3p80) | |
4XWL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xwl by Molmil](/molmil-images/mine/4xwl) | Catalytic domain of Clostridium Cellulovorans Exgs | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CALCIUM ION, ... | Authors: | liaw, Y.-C. | Deposit date: | 2015-01-29 | Release date: | 2015-10-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Structures of exoglucanase from Clostridium cellulovorans: cellotetraose binding and cleavage Acta Crystallogr.,Sect.F, 71, 2015
|
|
3P7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p7y by Molmil](/molmil-images/mine/3p7y) | |