4NJB
 
 | | Crystal structure of the complex of lactoperoxidase from bovine with 3,3-oxydipyridine at 2.31 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yamini, S, Sirohi, H.V, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-11-09 | | Release date: | 2013-11-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal structure of the complex of lactoperoxidase from bovine with 3,3-oxydipyridine at 2.31 A resolution
To be Published
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4NJC
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4NJD
 | | Structure of p21-activated kinase 4 with a novel inhibitor KY-04031 | | Descriptor: | N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine, Serine/threonine-protein kinase PAK 4 | | Authors: | Park, S. | | Deposit date: | 2013-11-09 | | Release date: | 2014-05-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery and the structural basis of a novel p21-activated kinase 4 inhibitor.
Cancer Lett., 349, 2014
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4NJE
 | | Crystal structure of Pyrococcus furiosus L-asparaginase with ligand | | Descriptor: | ASPARTIC ACID, L-asparaginase | | Authors: | Sharma, P, Tomar, R, Singh, S, Yadav, S.P.S, Ashish, Kundu, B. | | Deposit date: | 2013-11-09 | | Release date: | 2014-12-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains.
Acta Crystallogr.,Sect.D, 70, 2014
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4NJG
 | | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet and 6-carboxypterin | | Descriptor: | 6-CARBOXYPTERIN, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | | Deposit date: | 2013-11-10 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism.
Nat.Chem.Biol., 10, 2014
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4NJH
 | | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet and 6-carboxy-5,6,7,8-tetrahydropterin | | Descriptor: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | | Deposit date: | 2013-11-10 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism.
Nat.Chem.Biol., 10, 2014
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4NJI
 | | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet, 6-carboxy-5,6,7,8-tetrahydropterin, and Mg2+ | | Descriptor: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | | Deposit date: | 2013-11-10 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism.
Nat.Chem.Biol., 10, 2014
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4NJJ
 | | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet, 6-carboxy-5,6,7,8-tetrahydropterin, and Manganese(II) | | Descriptor: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | | Deposit date: | 2013-11-10 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism.
Nat.Chem.Biol., 10, 2014
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4NJK
 | | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet, 7-carboxy-7-deazaguanine, and Mg2+ | | Descriptor: | 2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | | Deposit date: | 2013-11-10 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.911 Å) | | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism.
Nat.Chem.Biol., 10, 2014
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4NJL
 | | Crystal structure of middle east respiratory syndrome coronavirus S2 protein fusion core | | Descriptor: | S protein, TRIETHYLENE GLYCOL | | Authors: | Zhu, Y, Lu, L, Qin, L, Ye, S, Jiang, S, Zhang, R. | | Deposit date: | 2013-11-10 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based discovery of Middle East respiratory syndrome coronavirus fusion inhibitor.
Nat Commun, 5, 2014
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4NJM
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4NJN
 | | Crystal Structure of E.coli GlpG at pH 4.5 | | Descriptor: | Rhomboid protease GlpG | | Authors: | Dickey, S.W, Baker, R.P, Cho, S, Urban, S. | | Deposit date: | 2013-11-11 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Proteolysis inside the Membrane Is a Rate-Governed Reaction Not Driven by Substrate Affinity.
Cell(Cambridge,Mass.), 155, 2013
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4NJO
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4NJP
 | | Proteolysis inside the membrane is a rate-governed reaction not Driven by substrate affinity | | Descriptor: | Rhomboid protease GlpG | | Authors: | Dickey, S.W, Baker, R.P, Cho, S, Urban, S. | | Deposit date: | 2013-11-11 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Proteolysis inside the Membrane Is a Rate-Governed Reaction Not Driven by Substrate Affinity.
Cell(Cambridge,Mass.), 155, 2013
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4NJQ
 | | Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CARBONATE ION, COBALT (II) ION, ... | | Authors: | Nguyen, D.D, Pandian, R, Kim, D.Y, Ha, S.C, Yun, K.H, Kim, K.S, Kim, J.H, Kim, K.K. | | Deposit date: | 2013-11-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Biochem.Biophys.Res.Commun., 447, 2014
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4NJR
 | | Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa | | Descriptor: | CARBONATE ION, Probable M18 family aminopeptidase 2, ZINC ION | | Authors: | Nguyen, D.D, Pandian, R, Kim, D.Y, Ha, S.C, Yun, K.H, Kim, K.S, Kim, J.H, Kim, K.K. | | Deposit date: | 2013-11-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Biochem.Biophys.Res.Commun., 447, 2014
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4NJS
 | | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2013-11-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV.
Antimicrob.Agents Chemother., 58, 2014
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4NJT
 | | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | Authors: | Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2013-11-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV.
Antimicrob.Agents Chemother., 58, 2014
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4NJU
 | | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with tipranavir | | Descriptor: | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, Protease | | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H. | | Deposit date: | 2013-11-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV.
Antimicrob.Agents Chemother., 58, 2014
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4NJV
 | | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with ritonavir | | Descriptor: | Protease, RITONAVIR | | Authors: | Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H. | | Deposit date: | 2013-11-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV.
Antimicrob.Agents Chemother., 58, 2014
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4NK1
 | | Crystal structure of phosphate-bound Hell's gate globin IV | | Descriptor: | Hemoglobin-like protein, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jamil, F. | | Deposit date: | 2013-11-12 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of truncated haemoglobin from an extremely thermophilic and acidophilic bacterium.
J.Biochem., 156, 2014
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4NK2
 | | Crystal structure of Hell's gate globin IV | | Descriptor: | Hemoglobin-like protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jamil, F. | | Deposit date: | 2013-11-12 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of truncated haemoglobin from an extremely thermophilic and acidophilic bacterium.
J.Biochem., 156, 2014
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4NK3
 | | Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655 | | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | | Deposit date: | 2013-11-12 | | Release date: | 2014-02-19 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin().
Bioorg.Med.Chem.Lett., 24, 2014
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4NK4
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4NK5
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