4OSR
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![BU of 4osr by Molmil](/molmil-images/mine/4osr) | Crystal structure of the S505K mutant of TAL effector dHax3 | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*GP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 | Authors: | Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. | Deposit date: | 2014-02-13 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | Revisiting the TALE repeat Protein Cell, 5, 2014
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4OSH
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![BU of 4osh by Molmil](/molmil-images/mine/4osh) | Crystal structure of the TAL effector dHax3 with NI RVD at 2.2 angstrom resolution | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 | Authors: | Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. | Deposit date: | 2014-02-13 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Revisiting the TALE repeat Protein Cell, 5, 2014
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4L1J
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![BU of 4l1j by Molmil](/molmil-images/mine/4l1j) | Three dimensional structure of mutant D143A of human HD domain-containing protein 2, Northeast Structural Genomics Consortium (NESG) Target HR6723 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, HD domain-containing protein 2, ... | Authors: | Kuzin, A, Su, M, Yakunin, A, Beloglazova, O, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Brown, G, Flick, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-06-03 | Release date: | 2013-06-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.824 Å) | Cite: | Three dimensional structure of mutant D143A of human HD
domain-containing protein 2, Northeast Structural Genomics Consortium (NESG) Target HR6723 To be Published
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4OYK
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![BU of 4oyk by Molmil](/molmil-images/mine/4oyk) | |
4PPR
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![BU of 4ppr by Molmil](/molmil-images/mine/4ppr) | Crystal structure of Mycobacterium tuberculosis D,D-peptidase Rv3330 in complex with meropenem | 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-d ihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein DacB1 | Authors: | Prigozhin, D.M, Huizar, J.P, Mavrici, D, Alber, T, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2014-02-27 | Release date: | 2014-11-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Subfamily-specific adaptations in the structures of two penicillin-binding proteins from Mycobacterium tuberculosis. Plos One, 9, 2014
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4PSS
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![BU of 4pss by Molmil](/molmil-images/mine/4pss) | Multiconformer model for Escherichia coli dihydrofolate reductase at 100K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.849 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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4PST
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![BU of 4pst by Molmil](/molmil-images/mine/4pst) | Multiconformer model for Escherichia coli dihydrofolate reductase at 277 K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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4PTJ
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![BU of 4ptj by Molmil](/molmil-images/mine/4ptj) | Ensemble model for Escherichia coli dihydrofolate reductase at 277K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-10 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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4PG1
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![BU of 4pg1 by Molmil](/molmil-images/mine/4pg1) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | Descriptor: | (1S,2S)-2-nonylcyclopropanecarboxylic acid, Aldehyde decarbonylase, DIMETHYL SULFOXIDE, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-05-01 | Release date: | 2014-11-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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4PGI
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![BU of 4pgi by Molmil](/molmil-images/mine/4pgi) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Analogs Bound | Descriptor: | 1,2-ETHANEDIOL, 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-05-02 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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4M1J
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![BU of 4m1j by Molmil](/molmil-images/mine/4m1j) | Crystal structure of Pseudomonas aeruginosa PvdQ in complex with a transition state analogue | Descriptor: | Acyl-homoserine lactone acylase PvdQ subunit alpha, Acyl-homoserine lactone acylase PvdQ subunit beta, GLYCEROL, ... | Authors: | Wu, R, Clevenger, K, Er, J, Fast, W.L, Liu, D. | Deposit date: | 2013-08-02 | Release date: | 2013-08-28 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Design of a Transition State Analogue with Picomolar Affinity for Pseudomonas aeruginosa PvdQ, a Siderophore Biosynthetic Enzyme. Acs Chem.Biol., 8, 2013
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4PDW
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![BU of 4pdw by Molmil](/molmil-images/mine/4pdw) | A benzonitrile analogue inhibits rhinovirus replication | Descriptor: | 4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile, Capsid protein VP4/VP2, GLYCEROL, ... | Authors: | Querol-Audi, J, Guerra, P, Lacroix, C, Roche, M, Franco, D, Froeyen, M, Terme, T, Vanelle, P, Neyts, J, Leyssen, P, Verdaguer, N. | Deposit date: | 2014-04-22 | Release date: | 2014-07-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A novel benzonitrile analogue inhibits rhinovirus replication. J.Antimicrob.Chemother., 69, 2014
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4M4X
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![BU of 4m4x by Molmil](/molmil-images/mine/4m4x) | |
4LX5
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![BU of 4lx5 by Molmil](/molmil-images/mine/4lx5) | X-ray crystal structure of the M6" riboswitch aptamer bound to pyrimido[4,5-d]pyrimidine-2,4-diamine (PPDA) | Descriptor: | MAGNESIUM ION, Mutated adenine riboswitch aptamer, pyrimido[4,5-d]pyrimidine-2,4-diamine | Authors: | Dunstan, M.S, Leys, D. | Deposit date: | 2013-07-29 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species. J.Am.Chem.Soc., 136, 2014
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4PYQ
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![BU of 4pyq by Molmil](/molmil-images/mine/4pyq) | Humanized rat apo-COMT in complex with a ureido-benzamidine | Descriptor: | 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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4PY0
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![BU of 4py0 by Molmil](/molmil-images/mine/4py0) | Crystal structure of P2Y12 receptor in complex with 2MeSATP | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ... | Authors: | Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | Deposit date: | 2014-03-25 | Release date: | 2014-04-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Agonist-bound structure of the human P2Y12 receptor Nature, 509, 2014
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4PYJ
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![BU of 4pyj by Molmil](/molmil-images/mine/4pyj) | human apo-COMT, single domain swap | Descriptor: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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4PYO
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![BU of 4pyo by Molmil](/molmil-images/mine/4pyo) | Humanized rat COMT bound to SAH, semi-holo form | Descriptor: | Catechol O-methyltransferase, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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4PZ2
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![BU of 4pz2 by Molmil](/molmil-images/mine/4pz2) | Structure of Zm ALDH2-6 (RF2F) in complex with NAD | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2014-03-28 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7. Biochem.J., 468, 2015
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4PXL
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![BU of 4pxl by Molmil](/molmil-images/mine/4pxl) | Structure of Zm ALDH2-3 (RF2C) in complex with NAD | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cytosolic aldehyde dehydrogenase RF2C, ... | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2014-03-24 | Release date: | 2015-03-18 | Last modified: | 2015-05-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7. Biochem.J., 468, 2015
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4QD9
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![BU of 4qd9 by Molmil](/molmil-images/mine/4qd9) | |
4QB5
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![BU of 4qb5 by Molmil](/molmil-images/mine/4qb5) | Crystal structure of a glyoxalase/bleomycin resistance protein from Albidiferax ferrireducens T118 | Descriptor: | 1,2-ETHANEDIOL, Glyoxalase/bleomycin resistance protein/dioxygenase, SULFATE ION | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-05-06 | Release date: | 2014-07-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of a glyoxalase/bleomycin resistance protein from Albidiferax ferrireducens T118 To be Published
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4PVX
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![BU of 4pvx by Molmil](/molmil-images/mine/4pvx) | Crystal structure of human FPPS in complex with [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rodionov, D, Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2014-03-18 | Release date: | 2015-04-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase. PLoS ONE, 12, 2017
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4QKO
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![BU of 4qko by Molmil](/molmil-images/mine/4qko) | The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms | Descriptor: | BROMIDE ION, MAGNESIUM ION, Pyocin-S2, ... | Authors: | Grinter, R, Josts, I, Roszak, A.W, Cogdell, C.J, Walker, D. | Deposit date: | 2014-06-07 | Release date: | 2015-06-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into pyocin S2 To be Published
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4PYN
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![BU of 4pyn by Molmil](/molmil-images/mine/4pyn) | Humanized rat COMT in complex with SAH | Descriptor: | CHLORIDE ION, Catechol O-methyltransferase, POTASSIUM ION, ... | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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