4RSV
 
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5HPI
 | | Crystal Structure of the Double Mutant of PobR Transcription Factor Inducer Binding Domain-3-Hydroxy Benzoic Acid complex from Acinetobacter | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYBENZOIC ACID, SULFATE ION, ... | | Authors: | Kim, Y, Tesar, C, Jedrejczak, R, Jha, R, Strauss, C.E.M, Joachimiak, A. | | Deposit date: | 2016-01-20 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.963 Å) | | Cite: | A microbial sensor for organophosphate hydrolysis exploiting an engineered specificity switch in a transcription factor.
Nucleic Acids Res., 44, 2016
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8PPZ
 | | Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR | | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, CALCIUM ION, ... | | Authors: | Meyners, C, Deutscher, R.C.E, Hausch, F. | | Deposit date: | 2023-07-10 | | Release date: | 2023-08-09 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Chemrxiv, 2023
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4TUA
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1EFA
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4RVY
 | | Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3) | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.-H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P. | | Deposit date: | 2014-11-29 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (5.5 Å) | | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
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8Q0P
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8Q0E
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3JPN
 | | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-dichloro methylene triphosphate | | Descriptor: | 2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | | Deposit date: | 2009-09-04 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
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3JPR
 | | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-dimethyl methylene triphosphate | | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | | Deposit date: | 2009-09-04 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
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1E83
 | | Cytochrome c' from Alcaligenes xylosoxidans - oxidized structure | | Descriptor: | CYTOCHROME C', HEME C | | Authors: | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | | Deposit date: | 2000-09-15 | | Release date: | 2000-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase
Embo J., 19, 2000
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3JPO
 | | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochloromethylene triphosphate | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | | Deposit date: | 2009-09-04 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
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5HVD
 | | Full length Open-form Sodium Channel NavMs I218C | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, HEGA-10, ... | | Authors: | Sula, A, Booker, J.E, Naylor, C.E, Wallace, B.A. | | Deposit date: | 2016-01-28 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The complete structure of an activated open sodium channel.
Nat Commun, 8, 2017
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5L4L
 | | polyketide ketoreductase SimC7 - ternary complex with NADP+ and 7-oxo-SD8 | | Descriptor: | 7-oxo-simocyclinone D8, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | | Deposit date: | 2016-05-25 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
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1EIB
 | | CRYSTAL STRUCTURE OF CHITINASE A MUTANT D313A COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A | | Authors: | Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K. | | Deposit date: | 2000-02-25 | | Release date: | 2001-02-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis.
Biochemistry, 40, 2001
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3JPQ
 | | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monoBromo methylene triphosphate | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | | Deposit date: | 2009-09-04 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
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4TUC
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4TUD
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5L3Z
 | | polyketide ketoreductase SimC7 - binary complex with NADP+ | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, polyketide ketoreductase SimC7 | | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | | Deposit date: | 2016-05-24 | | Release date: | 2016-10-05 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
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5L45
 | | polyketide ketoreductase SimC7 - apo crystal form 2 | | Descriptor: | GLYCEROL, SimC7, TETRAETHYLENE GLYCOL | | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | | Deposit date: | 2016-05-25 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
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5IC0
 | | Structural analysis of a talin triple domain module | | Descriptor: | 1,2-ETHANEDIOL, Talin-1 | | Authors: | Wu, J, Chang, Y.-C.E, Zhang, H, Brennan, M.L. | | Deposit date: | 2016-02-22 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural and Functional Analysis of a Talin Triple-Domain Module Suggests an Alternative Talin Autoinhibitory Configuration.
Structure, 24, 2016
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1E5G
 | | Solution structure of central CP module pair of a pox virus complement inhibitor | | Descriptor: | COMPLEMENT CONTROL PROTEIN C3 | | Authors: | Henderson, C.E, Bromek, K, Mullin, N.P, Smith, B.O, Uhrin, D, Barlow, P.N. | | Deposit date: | 2000-07-25 | | Release date: | 2000-08-31 | | Last modified: | 2013-07-03 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Dynamics of the Central Ccp Module Pair of a Poxvirus Complement Control Protein
J.Mol.Biol., 307, 2001
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1EHN
 | | CRYSTAL STRUCTURE OF CHITINASE A MUTANT E315Q COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A | | Authors: | Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K. | | Deposit date: | 2000-02-22 | | Release date: | 2001-02-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis.
Biochemistry, 40, 2001
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3G06
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1E85
 | | Cytochrome c' from Alcaligenes xylosoxidans - reduced structure with NO bound to proximal side of heme | | Descriptor: | CYTOCHROME C', HEME C, NITRIC OXIDE | | Authors: | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | | Deposit date: | 2000-09-15 | | Release date: | 2000-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase.
Embo J., 19, 2000
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