4RU4
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![BU of 4ru4 by Molmil](/molmil-images/mine/4ru4) | Crystal structure of the tailspike protein gp49 from Pseudomonas phage LKA1 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | Authors: | Browning, C, Shneider, M.M, Leiman, P.G. | Deposit date: | 2014-11-18 | Release date: | 2015-11-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | The O-specific polysaccharide lyase from the phage LKA1 tailspike reduces Pseudomonas virulence. Sci Rep, 7, 2017
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4S05
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![BU of 4s05 by Molmil](/molmil-images/mine/4s05) | Crystal structure of Klebsiella pneumoniae PmrA in complex with PmrA box DNA | Descriptor: | BERYLLIUM TRIFLUORIDE ION, DNA (26-MER), DNA-binding transcriptional regulator BasR, ... | Authors: | Hsiao, C.D, Weng, T.H, Li, Y.C. | Deposit date: | 2014-12-30 | Release date: | 2015-11-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure and dynamics of polymyxin-resistance-associated response regulator PmrA in complex with promoter DNA. Nat Commun, 6, 2015
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4S04
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![BU of 4s04 by Molmil](/molmil-images/mine/4s04) | Crystal structure of Klebsiella pneumoniae PmrA in complex with PmrA box DNA | Descriptor: | BERYLLIUM TRIFLUORIDE ION, DNA (25-MER), DNA-binding transcriptional regulator BasR, ... | Authors: | Hsiao, C.D, Weng, T.H, Li, Y.C. | Deposit date: | 2014-12-30 | Release date: | 2015-11-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and dynamics of polymyxin-resistance-associated response regulator PmrA in complex with promoter DNA. Nat Commun, 6, 2015
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4TQC
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![BU of 4tqc by Molmil](/molmil-images/mine/4tqc) | The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G | Descriptor: | (2S)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E | Authors: | Papadopoulos, E, Jenni, S, Wagner, G. | Deposit date: | 2014-06-10 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G. Proc.Natl.Acad.Sci.USA, 111, 2014
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4TS0
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![BU of 4ts0 by Molmil](/molmil-images/mine/4ts0) | Crystal structure of the Spinach RNA aptamer in complex with DFHBI, barium ions | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, BARIUM ION, POTASSIUM ION, ... | Authors: | Warner, K.D, Chen, M.C, Song, W, Strack, R.L, Thorn, A, Jaffrey, S.R, Ferre-D'Amare, A.R. | Deposit date: | 2014-06-18 | Release date: | 2014-07-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for activity of highly efficient RNA mimics of green fluorescent protein. Nat.Struct.Mol.Biol., 21, 2014
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4RU5
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![BU of 4ru5 by Molmil](/molmil-images/mine/4ru5) | Crystal Structure of the Pseudomonas phage phi297 tailspike gp61 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Browning, C, Sycheva, L.V, Shneider, M.M, Leiman, P.G. | Deposit date: | 2014-11-18 | Release date: | 2015-11-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The O-specific polysaccharide lyase from the phage LKA1 tailspike reduces Pseudomonas virulence. Sci Rep, 7, 2017
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4RL0
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![BU of 4rl0 by Molmil](/molmil-images/mine/4rl0) | Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins | Descriptor: | (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase NDM-1, ZINC ION | Authors: | Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W. | Deposit date: | 2014-10-14 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins. J.Am.Chem.Soc., 136, 2014
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4RMU
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![BU of 4rmu by Molmil](/molmil-images/mine/4rmu) | |
4S0Z
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![BU of 4s0z by Molmil](/molmil-images/mine/4s0z) | Crystal structure of M26V human DJ-1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Protein DJ-1 | Authors: | Milkovic, N.M, Wilson, M.A. | Deposit date: | 2015-01-07 | Release date: | 2015-08-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Transient sampling of aggregation-prone conformations causes pathogenic instability of a parkinsonian mutant of DJ-1 at physiological temperature. Protein Sci., 24, 2015
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4TPW
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![BU of 4tpw by Molmil](/molmil-images/mine/4tpw) | The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G | Descriptor: | (2E)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Papadopoulos, E, Jenni, S, Wagner, G. | Deposit date: | 2014-06-09 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G. Proc.Natl.Acad.Sci.USA, 111, 2014
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4TQB
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![BU of 4tqb by Molmil](/molmil-images/mine/4tqb) | The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G | Descriptor: | (2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Papadopoulos, E, Jenni, S, Wagner, G. | Deposit date: | 2014-06-10 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G. Proc.Natl.Acad.Sci.USA, 111, 2014
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4RMV
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![BU of 4rmv by Molmil](/molmil-images/mine/4rmv) | |
4RNQ
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![BU of 4rnq by Molmil](/molmil-images/mine/4rnq) | Crystal structure of tobacco 5-epi-aristolochene synthase (TEAS) with anilinogeranyl diphosphate (AGPP) and geraniline | Descriptor: | (2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate, 5-epi-aristolochene synthase, ACETATE ION, ... | Authors: | Koo, H.J, Crenshaw, C.M, Starks, C, Spielmann, H.P, Chappell, J, Noel, J.P. | Deposit date: | 2014-10-24 | Release date: | 2015-05-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Formation of a Novel Macrocyclic Alkaloid from the Unnatural Farnesyl Diphosphate Analogue Anilinogeranyl Diphosphate by 5-Epi-Aristolochene Synthase. Acs Chem.Biol., 10, 2015
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3TD6
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![BU of 3td6 by Molmil](/molmil-images/mine/3td6) | Peptidyl-tRNA hydrolase from Mycobacterium tuberculosis from trigonal partially dehydrated crystal | Descriptor: | Peptidyl-tRNA hydrolase | Authors: | Selvaraj, M, Ahmad, R, Varshney, U, Vijayan, M. | Deposit date: | 2011-08-10 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of new crystal forms of Mycobacterium tuberculosis peptidyl-tRNA hydrolase and functionally important plasticity of the molecule Acta Crystallogr.,Sect.F, 68, 2012
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4OGW
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![BU of 4ogw by Molmil](/molmil-images/mine/4ogw) | Structure of a human CD38 mutant complexed with NMN | Descriptor: | ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | Authors: | Shewchuk, L.M, Preugschat, F, Carter, L.H, Boros, E.E, Moyer, M.B, Stewart, E.L, Porter, D.J.T. | Deposit date: | 2014-01-16 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A pre-steady state and steady state kinetic analysis of the N-ribosyl hydrolase activity of hCD157. Arch.Biochem.Biophys., 564C, 2014
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4OJQ
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![BU of 4ojq by Molmil](/molmil-images/mine/4ojq) | |
4OS5
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![BU of 4os5 by Molmil](/molmil-images/mine/4os5) | |
3Q82
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![BU of 3q82 by Molmil](/molmil-images/mine/3q82) | Meropenem acylated BlaR1 sensor domain from Staphylococcus aureus | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase regulatory protein BlaR1, GLYCEROL | Authors: | Borbulevych, O.Y, Mobashery, S, Baker, B.M. | Deposit date: | 2011-01-05 | Release date: | 2011-07-20 | Last modified: | 2013-01-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus. J.Biol.Chem., 286, 2011
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3QMM
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![BU of 3qmm by Molmil](/molmil-images/mine/3qmm) | |
4KJZ
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![BU of 4kjz by Molmil](/molmil-images/mine/4kjz) | |
6ZMN
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![BU of 6zmn by Molmil](/molmil-images/mine/6zmn) | |
4KJK
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![BU of 4kjk by Molmil](/molmil-images/mine/4kjk) | Room Temperature WT DHFR | Descriptor: | CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ... | Authors: | van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S. | Deposit date: | 2013-05-03 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | Automated identification of functional dynamic contact networks from X-ray crystallography. Nat.Methods, 10, 2013
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7AAD
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![BU of 7aad by Molmil](/molmil-images/mine/7aad) | Crystal structure of the catalytic domain of human PARP1 in complex with olaparib | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D. | Deposit date: | 2020-09-04 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition. Nucleic Acids Res., 49, 2021
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3ECW
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![BU of 3ecw by Molmil](/molmil-images/mine/3ecw) | |
4KUP
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![BU of 4kup by Molmil](/molmil-images/mine/4kup) | Endothiapepsin in complex with 20mM acylhydrazone inhibitor | Descriptor: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2013-05-22 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.311 Å) | Cite: | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry. Angew.Chem.Int.Ed.Engl., 53, 2014
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