6O0X
 
 | | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | | Descriptor: | 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ... | | Authors: | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | | Deposit date: | 2019-02-17 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
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1J86
 | | HUMAN HIGH AFFINITY FC RECEPTOR FC(EPSILON)RI(ALPHA), MONOCLINIC CRYSTAL FORM 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Garman, S.C, Sechi, S, Kinet, J.P, Jardetzky, T.S. | | Deposit date: | 2001-05-20 | | Release date: | 2001-08-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The analysis of the human high affinity IgE receptor Fc epsilon Ri alpha from multiple crystal forms.
J.Mol.Biol., 311, 2001
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3TGZ
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2MH0
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1ISE
 | | Crystal structure of a mutant of ribosome recycling factor from Escherichia coli, Arg132Gly | | Descriptor: | Ribosome Recycling Factor | | Authors: | Nakano, H, Yoshida, T, Oka, S, Uchiyama, S, Nishina, K, Ohkubo, T, Kato, H, Yamagata, Y, Kobayashi, Y. | | Deposit date: | 2001-11-30 | | Release date: | 2003-10-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a mutant of ribosome recycling factor from Escherichia coli, Arg132Gly
To be Published
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1IP9
 | | SOLUTION STRUCTURE OF THE PB1 DOMAIN OF BEM1P | | Descriptor: | BEM1 PROTEIN | | Authors: | Terasawa, H, Noda, Y, Ito, T, Hatanaka, H, Ichikawa, S, Ogura, K, Sumimoto, H, Inagaki, F. | | Deposit date: | 2001-04-26 | | Release date: | 2001-08-15 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure and ligand recognition of the PB1 domain: a novel protein module binding to the PC motif.
EMBO J., 20, 2001
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3I4D
 | | Photosynthetic reaction center from rhodobacter sphaeroides 2.4.1 | | Descriptor: | (2R,3S)-heptane-1,2,3-triol, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ... | | Authors: | Fujii, R, Adachi, S, Roszak, A.W, Gardiner, A.T, Cogdell, R.J, Isaacs, N.W, Koshihara, S, Hashimoto, H. | | Deposit date: | 2009-07-01 | | Release date: | 2010-12-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure of the carotenoid bound to the reaction centre from Rhodobacter sphaeroides 2.4.1 revealed by time-resolved X-ray crystallography
To be Published
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6S8W
 | | Aromatic aminotransferase AroH (Aro8) form Aspergillus fumigatus in complex with PLP (internal aldimine) | | Descriptor: | Aromatic aminotransferase Aro8, putative, FORMIC ACID, ... | | Authors: | Giardina, G, Mirco, D, Spizzichino, S, Zelante, T, Cutruzzola, F, Romani, L, Cellini, B. | | Deposit date: | 2019-07-10 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Aspergillus fumigatus AroH, an aromatic amino acid aminotransferase
Proteins, 2021
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5EUE
 | | S1P Lyase Bacterial Surrogate bound to N-(2-((4-methoxy-2,5-dimethylbenzyl)amino)-1-phenylethyl)-5-methylisoxazole-3-carboxamide | | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide | | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
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5EUD
 | | S1P Lyase Bacterial Surrogate bound to N-(1-(4-(3-hydroxyprop-1-yn-1-yl)phenyl)-2-((4-methoxy-2,5-dimethylbenzyl)amino)ethyl)-5-methylisoxazole-3-carboxamide | | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide | | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
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2N3G
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2N3H
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2N3F
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4P68
 | | Electrostatics of Active Site Microenvironments for E. coli DHFR | | Descriptor: | ACETATE ION, CALCIUM ION, Dihydrofolate reductase, ... | | Authors: | Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J. | | Deposit date: | 2014-03-22 | | Release date: | 2014-07-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.
J.Am.Chem.Soc., 136, 2014
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4P66
 | | Electrostatics of Active Site Microenvironments of E. coli DHFR | | Descriptor: | CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ... | | Authors: | Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J. | | Deposit date: | 2014-03-21 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.
J.Am.Chem.Soc., 136, 2014
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3ZTN
 | | STRUCTURE OF INFLUENZA A NEUTRALIZING ANTIBODY SELECTED FROM CULTURES OF SINGLE HUMAN PLASMA CELLS IN COMPLEX WITH HUMAN H1 INFLUENZA HAEMAGGLUTININ. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FI6V3 ANTIBODY LIGHT CHAIN, ... | | Authors: | Hubbard, P.A, Ritchie, A.J, Corti, D, Voss, J.E, Gamblin, S.J, Codoni, G, Macagno, A, Jarrossay, D, Pinna, D, Minola, A, Vanzetta, F, Silacci, C, Fernandez-Rodriguez, B.M, Agatic, G, Giacchetto-Sasselli, I, Vachieri, S.G, Sallusto, F, Collins, P.J, Haire, L.F, Temperton, N, Langedijk, J.P.M, Skehel, J.J, Lanzavecchia, A. | | Deposit date: | 2011-07-12 | | Release date: | 2011-08-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | A Neutralizing Antibody Selected from Plasma Cells that Binds to Group 1 and Group 2 Influenza a Hemagglutinins.
Science, 333, 2011
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6HK4
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | | Descriptor: | 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
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6HK3
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | | Descriptor: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
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6HK7
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | | Descriptor: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
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5XLF
 | | Crystal structure of aerobically purified and aerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y. | | Deposit date: | 2017-05-10 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2.
J. Inorg. Biochem., 177, 2017
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1KUI
 | | Crystal Structure of a Taiwan Habu Venom Metalloproteinase complexed with pEQW. | | Descriptor: | CADMIUM ION, EQW, metalloproteinase | | Authors: | Huang, K.F, Chiou, S.H, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2002-01-22 | | Release date: | 2002-07-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Determinants of the inhibition of a Taiwan habu venom metalloproteinase by its endogenous inhibitors revealed by X-ray crystallography and synthetic inhibitor analogues.
Eur.J.Biochem., 269, 2002
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5IR6
 | | The structure of bd oxidase from Geobacillus thermodenitrificans | | Descriptor: | Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | | Authors: | Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H. | | Deposit date: | 2016-03-12 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases.
Science, 352, 2016
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5XLG
 | | Crystal structure of anaerobically purified and aerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE3-S4 CLUSTER, ... | | Authors: | Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y. | | Deposit date: | 2017-05-10 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2.
J. Inorg. Biochem., 177, 2017
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2CWQ
 | | Crystal structure of conserved protein TTHA0727 from Thermus thermophilus HB8 | | Descriptor: | hypothetical protein TTHA0727 | | Authors: | Ito, K, Arai, R, Fusatomi, E, Kamo-Uchikubo, T, Kawaguchi, S, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-06-23 | | Release date: | 2005-12-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the conserved protein TTHA0727 from Thermus thermophilus HB8 at 1.9 A resolution: A CMD family member distinct from carboxymuconolactone decarboxylase (CMD) and AhpD
Protein Sci., 15, 2006
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5XLH
 | | Crystal structure of aerobically purified and aerobically crystallized for 12weeks D. vulgaris Miyazaki F [NiFe]-hydrogenase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y. | | Deposit date: | 2017-05-10 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2.
J. Inorg. Biochem., 177, 2017
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