4DEX
 
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4DFA
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/L36A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Clark, I.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2012-01-23 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.404 Å) | | Cite: | Pressure effects in proteins
To be Published
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4DGZ
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/L125A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Nam, S.P, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2012-01-27 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Pressure effects in proteins
To be Published
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4MHF
 | | Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Glucuronate, space group P21 | | Descriptor: | TRAP dicarboxylate transporter, DctP subunit, alpha-D-glucopyranuronic acid, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-08-29 | | Release date: | 2013-09-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4DO7
 | | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound zn, space group c2 | | Descriptor: | Amidohydrolase 2, SULFATE ION, ZINC ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-09 | | Release date: | 2012-02-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound zn, space group c2
to be published
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4LT8
 | | Crystal Structure of tRNA Proline (CGG) Bound to Codon CCC-G on the Ribosome | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.14000177 Å) | | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4DX7
 | | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop | | Descriptor: | Acriflavine resistance protein B, DARPIN, DECANE, ... | | Authors: | Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. | | Deposit date: | 2012-02-27 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.253 Å) | | Cite: | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4LUH
 | | Complex of ovine serum albumin with 3,5-diiodosalicylic acid | | Descriptor: | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, (2S)-2-hydroxybutanedioic acid, 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, ... | | Authors: | Bujacz, A, Talaj, J.A, Pietrzyk, A.J, Bujacz, G. | | Deposit date: | 2013-07-25 | | Release date: | 2014-09-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of ovine serum albumin and its complex with 3,5-diiodosalicylic acid
To be Published
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4LYJ
 | | Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C, alternative space group | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-07-31 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.927 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4LZ3
 | | F95H Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, HYDROGENPHOSPHATE ION, ... | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-31 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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4DF0
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Thermoproteus neutrophilus | | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Orotidine 5'-phosphate decarboxylase, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2012-01-22 | | Release date: | 2013-01-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of orotidine 5'-monophosphate decarboxylase from Thermoproteus neutrophilus
To be Published
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4DGQ
 | | Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia | | Descriptor: | 1,2-ETHANEDIOL, Non-heme chloroperoxidase | | Authors: | Gardberg, A.S, Edwards, T.E, Abendroth, J.A, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2012-01-26 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia
To be Published
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4DF7
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23L/V99I at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2012-01-23 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Pressure effects in proteins
To be Published
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4DFD
 | | Crystal structure of had family enzyme bt-2542 (target efi-501088) from bacteroides thetaiotaomicron, magnesium complex | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Putative haloacid dehalogenase-like hydrolase, ... | | 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, Allen, K, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-01-23 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Protein Bt-2542 from Bacteroides Thetaiotaomicron (Target Efi-501088)
To be Published
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4MGG
 | | Crystal structure of an enolase (mandelate racemase subgroup) from labrenzia aggregata iam 12614 (target nysgrc-012903) with bound mg, space group p212121 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Muconate lactonizing enzyme, ... | | Authors: | Vetting, M.W, Zhang, X, Wasserman, S.R, Morisco, L.L, Sojitra, S, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-28 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of an enolase (mandelate racemase subgroup) from labrenzia aggregata iam 12614 (target nysgrc-012903) with bound mg, space group p212121
To be Published
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4LTV
 | | Crystal structure of epi-isozizaene synthase from Streptomyces coelicolor A3(2) | | Descriptor: | Epi-isozizaene synthase, SULFATE ION | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-24 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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4LUI
 | | Crystal structure of Orotidine 5'-monophosphate decarboxylase from methanocaldococcus jannaschii | | Descriptor: | CHLORIDE ION, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-07-25 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of Orotidine 5'-monophosphate decarboxylase from methanocaldococcus jannaschii
To be Published
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4LZC
 | | W325F Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate | | Descriptor: | Epi-isozizaene synthase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-31 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.457 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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4DX6
 | | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop | | Descriptor: | Acriflavine resistance protein B, DARPIN, DODECYL-BETA-D-MALTOSIDE | | Authors: | Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. | | Deposit date: | 2012-02-27 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4LUJ
 | | Crystal structure of Orotidine 5'-monophosphate decarboxylase from methanocaldococcus jannaschii complexed with inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-07-25 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of Orotidine 5'-monophosphate decarboxylase from methanocaldococcus jannaschii complexed with inhibitor BMP
To be Published
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4LV6
 | | Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C | | Descriptor: | 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide, CALCIUM ION, GTPase KRas, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-07-26 | | Release date: | 2013-11-27 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4DY0
 | | Crystal structure of native protease nexin-1 with heparin | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, GLYCEROL, Glia-derived nexin, ... | | Authors: | Huntington, J.A, Li, W. | | Deposit date: | 2012-02-28 | | Release date: | 2012-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structures of protease nexin-1 in complex with heparin and thrombin suggest a 2-step recognition mechanism.
Blood, 120, 2012
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4LZ0
 | | A236G Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-31 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.754 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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4DEY
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4M1F
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