1ZND
 
 | | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | | Descriptor: | CADMIUM ION, Major Urinary Protein, PENTAN-1-OL | | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | | Deposit date: | 2005-05-11 | | Release date: | 2005-12-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex.
J.Am.Chem.Soc., 127, 2005
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2BQX
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4PO5
 | | Crystal structure of allophycocyanin B from Synechocystis PCC 6803 | | Descriptor: | Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, PHYCOCYANOBILIN, ... | | Authors: | Pang, P.P, Dong, L.L, Sun, Y.F, Zeng, X.L, Ding, W.L, Scheer, H, Yang, X, Zhao, K.H. | | Deposit date: | 2014-02-24 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | The structure of allophycocyanin B from Synechocystis PCC 6803 reveals the structural basis for the extreme redshift of the terminal emitter in phycobilisomes.
Acta Crystallogr.,Sect.D, 70, 2014
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4PBU
 | | Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | | 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.A, 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: | 2014-04-13 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (5 Å) | | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
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4ASJ
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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1C52
 | | THERMUS THERMOPHILUS CYTOCHROME-C552: A NEW HIGHLY THERMOSTABLE CYTOCHROME-C STRUCTURE OBTAINED BY MAD PHASING | | Descriptor: | CYTOCHROME-C552, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Than, M.E, Hof, P, Huber, R, Bourenkov, G.P, Bartunik, H.D, Buse, G, Soulimane, T. | | Deposit date: | 1997-06-23 | | Release date: | 1998-06-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Thermus thermophilus cytochrome-c552: A new highly thermostable cytochrome-c structure obtained by MAD phasing.
J.Mol.Biol., 271, 1997
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3CIV
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3CL0
 | | N1 Neuraminidase H274Y + oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | | Authors: | Collins, P, Haire, L.F, Lin, Y.P, Liu, J, Russell, R.J, Walker, P.A, Skehel, J.J, Martin, S.R, Hay, A.J, Gamblin, S.J. | | Deposit date: | 2008-03-18 | | Release date: | 2008-05-20 | | Last modified: | 2018-08-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants.
Nature, 453, 2008
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4K14
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4ASY
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-05-03 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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2C4T
 | | X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with an inhibitor, an analogue of S- adenosyl methionine | | Descriptor: | 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE | | Authors: | McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Naismith, J.H. | | Deposit date: | 2005-10-22 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Substrates and Inhibitors of the Fluorinase from Streptomyces Cattleya
To be Published
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4B4V
 | | Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor LY354899 | | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... | | Authors: | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | | Deposit date: | 2012-08-01 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure.
FEBS J., 279, 2012
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4K3O
 | | E. coli sliding clamp in complex with AcQADLF | | Descriptor: | (ACE)QADLF, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2013-04-11 | | Release date: | 2013-05-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
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4KL7
 | | Crystal structure of the catalytic domain of RpfB from Mycobacterium tuberculosis | | Descriptor: | Resuscitation-promoting factor RpfB, SULFATE ION | | Authors: | Squeglia, F, Romano, M, Ruggiero, A, Berisio, R. | | Deposit date: | 2013-05-07 | | Release date: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Carbohydrate Recognition by RpfB from Mycobacterium tuberculosis Unveiled by Crystallographic and Molecular Dynamics Analyses.
Biophys.J., 104, 2013
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3CO0
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4KSS
 | | Crystal Structure of Vibrio cholerae ATPase GspsE Hexamer | | Descriptor: | Type II secretion system protein E, hemolysin-coregulated protein | | Authors: | Hol, W.G, Turley, S, Lu, C.Y, Park, Y.J. | | Deposit date: | 2013-05-17 | | Release date: | 2013-09-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (7.58 Å) | | Cite: | Hexamers of the Type II Secretion ATPase GspE from Vibrio cholerae with Increased ATPase Activity.
Structure, 21, 2013
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4K3K
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4B2W
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-07-18 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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4B4M
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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2BZS
 | | Binding of anti-cancer prodrug CB1954 to the activating enzyme NQO2 revealed by the crystal structure of their complex. | | Descriptor: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, NRH DEHYDROGENASE [QUINONE] 2, ... | | Authors: | Abu Khader, M.M, Heap, J.T, De Matteis, C, Kellam, B, Doughty, S.W, Minton, N, Paoli, M. | | Deposit date: | 2005-08-22 | | Release date: | 2005-09-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding of the Anticancer Prodrug Cb1954 to the Activating Enzyme Nqo2 Revealed by the Crystal Structure of Their Complex.
J.Med.Chem., 48, 2005
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4B4W
 | | Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and an inhibitor | | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... | | Authors: | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | | Deposit date: | 2012-08-01 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure.
FEBS J., 279, 2012
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3DEN
 | | Structure of E. coli DHDPS mutant Y107W | | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Pearce, F.G, Gerrard, J.A, Perugini, M.A, Jameson, G.B. | | Deposit date: | 2008-06-10 | | Release date: | 2008-11-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutating the tight-dimer interface of dihydrodipicolinate synthase disrupts the enzyme quaternary structure: toward a monomeric enzyme
Biochemistry, 47, 2008
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3DFJ
 | | Crystal structure of human Prostasin | | Descriptor: | CHLORIDE ION, Prostasin | | Authors: | Su, H.P, Rickert, K.W, Darke, P.L, Munshi, S.K. | | Deposit date: | 2008-06-12 | | Release date: | 2008-10-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of human prostasin, a target for the regulation of hypertension.
J.Biol.Chem., 283, 2008
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4B42
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-07-27 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.505 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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4K3P
 | | E. coli sliding clamp in complex with AcQLALF | | Descriptor: | (ACE)QLALF, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2013-04-11 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
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