4IHC
 
 | | Crystal structure of probable mannonate dehydratase Dd703_0947 (target EFI-502222) from Dickeya dadantii Ech703 | | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-12-18 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of mannonate dehydratase Dd703_0947 from Dickeya dadantii Ech703
To be Published
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4IBW
 | | Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation T284R in sequence-specific complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3'), ... | | Authors: | Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.791 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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4IFS
 | | Crystal structure of the hSSRP1 Middle domain | | Descriptor: | CHLORIDE ION, FACT complex subunit SSRP1 | | Authors: | Zhang, W.J, Zeng, F.X, Shao, C, Liu, Y.W, Niu, L.W, Li, X, Teng, M.K. | | Deposit date: | 2012-12-15 | | Release date: | 2014-01-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of the hSSRP1 Middle domain
To be Published
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4IBV
 | | Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation S240R in sequence-specific complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3'), ... | | Authors: | Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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4INF
 | | Crystal structure of amidohydrolase saro_0799 (target efi-505250) from novosphingobium aromaticivorans dsm 12444 with bound calcium | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-01-04 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structure of amidohydrolase sarp_0799 (target efi-505250) from novosphingobium aromaticivorans
To be Published
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4IBY
 | | Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation S240R | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION | | Authors: | Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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4ILZ
 | | Structural and kinetic study of an internal substrate binding site of dehaloperoxidase-hemoglobin A from Amphitrite ornata | | Descriptor: | 2,4,6-TRIBROMOPHENOL, Dehaloperoxidase A, ISOPROPYL ALCOHOL, ... | | Authors: | de Serrano, V.S, Zhao, J, Zhao, J, Franzen, S. | | Deposit date: | 2013-01-01 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
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1DZ4
 | | ferric p450cam from pseudomonas putida | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | | Deposit date: | 2000-02-16 | | Release date: | 2000-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000
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4J2T
 | | Inhibitor-bound Ca2+ ATPase | | Descriptor: | (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate, PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, ... | | Authors: | Paulsen, E.S, Villadsen, J, Tenori, E, Liu, H, Lie, M.A, Bonde, D.F, Bublitz, M, Olesen, C, Autzen, H.E, Dach, I, Sehgal, P, Moller, J.V, Schiott, B, Nissen, P, Christensen, S.B. | | Deposit date: | 2013-02-05 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase.
J.Med.Chem., 56, 2013
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4IWF
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Oxime-derivative | | Descriptor: | 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2013-01-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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4IT1
 | | Crystal structure of enolase pfl01_3283 (target efi-502286) from pseudomonas fluorescens pf0-1 with bound magnesium, potassium and tartrate | | Descriptor: | BICARBONATE ION, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-01-17 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Enolase Pfl01_3283 from Pseudomonas Fluorescens
To be Published
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4J0U
 | | Crystal structure of IFIT5/ISG58 | | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5 | | Authors: | Liu, Y, Liang, H, Feng, F, Yuan, L, Wang, Y.E, Crowley, C, Lv, Z, Li, J, Zeng, S, Cheng, G. | | Deposit date: | 2013-01-31 | | Release date: | 2013-02-13 | | Method: | X-RAY DIFFRACTION (1.969 Å) | | Cite: | Crystal Structure of IFIT5
To be Published
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4J3Z
 | | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Jannaschia sp. CCS1 | | Descriptor: | Mandelate racemase/muconate lactonizing enzyme | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-06 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Jannaschia sp. CCS1
To be Published
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3FW3
 | | Crystal Structure of soluble domain of CA4 in complex with Dorzolamide | | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 4, SULFATE ION, ... | | Authors: | Greasley, S.E, Ferre, R.A.A, Paz, R, Wickersham, J. | | Deposit date: | 2009-01-16 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Bioorg.Med.Chem., 18, 2010
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3FWO
 | | The large ribosomal subunit from Deinococcus radiodurans complexed with Methymycin | | Descriptor: | (3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 23S RIBOSOMAL RNA, 5S RIBOSOMAL RNA | | Authors: | Auerbach, T, Mermershtain, I, Bashan, A, Davidovich, C, Rozenberg, H, Sherman, D.H, Yonath, A. | | Deposit date: | 2009-01-19 | | Release date: | 2010-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.71 Å) | | Cite: | Structural basis for the antibacterial activity of the 12-membered-ring mono-sugar macrolide methymycin
Biotechnologia, 1, 2009
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6DK3
 | | HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2 | | Descriptor: | Serine hydroxymethyltransferase, mitochondrial, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-05-28 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2
to be published
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1DZ9
 | | Putative oxo complex of P450cam from Pseudomonas putida | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | | Deposit date: | 2000-02-18 | | Release date: | 2000-03-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000
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5ZJV
 | | Crystal structure of the catalytic domain of MCR-1 (cMCR-1) in complex with xylose | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, beta-L-xylopyranose | | Authors: | Liu, Z.X, Han, Z, Yu, X.L, Wen, G, Zeng, C. | | Deposit date: | 2018-03-22 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal Structure of the Catalytic Domain of MCR-1 (cMCR-1) in Complex with d-Xylose
Crystals, 8, 2018
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5DIE
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol | | Descriptor: | (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-08-31 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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3HKE
 | | Tubulin-T138067: RB3 stathmin-like domain complex | | Descriptor: | 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | | Deposit date: | 2009-05-23 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
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8FNN
 | | Structure of E138K/G140A/Q148K HIV-1 intasome with Dolutegravir bound | | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | | Deposit date: | 2022-12-27 | | Release date: | 2023-08-09 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
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8FNJ
 | | Structure of E138K/G140A HIV-1 intasome with Dolutegravir bound | | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | | Deposit date: | 2022-12-27 | | Release date: | 2023-08-09 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
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8FN7
 | | Structure of WT HIV-1 intasome bound to Dolutegravir | | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | | Deposit date: | 2022-12-27 | | Release date: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
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8FNL
 | | Structure of E138K/Q148K HIV-1 intasome with Dolutegravir bound | | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | | Deposit date: | 2022-12-27 | | Release date: | 2023-08-09 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
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8FNG
 | | Structure of E138K HIV-1 intasome with Dolutegravir bound | | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | | Deposit date: | 2022-12-27 | | Release date: | 2023-08-09 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
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