4WGJ
 
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3LFZ
 | | Crystal Structure of Protein MJ1225 from Methanocaldococcus jannaschii, a putative archaeal homolog of g-AMPK. | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gomez-Garcia, I, Oyenarte, I, Kortazar, D, Martinez-Cruz, L.A. | | Deposit date: | 2010-01-19 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of protein MJ1225 from Methanocaldococcus jannaschii shows strong conservation of key structural features seen in the eukaryal gamma-AMPK.
J.Mol.Biol., 65, 2010
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8FE8
 | | Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ... | | Authors: | Rumrill, S, Ruiz, F.X, Arnold, E. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.
Commun Chem, 6, 2023
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4K4R
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1ABN
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4NFT
 | | Crystal structure of human lnkH2B-h2A.Z-Anp32e | | Descriptor: | Acidic leucine-rich nuclear phosphoprotein 32 family member E, Histone H2B type 2-E, Histone H2A.Z | | Authors: | Shan, S, Pan, L, Mao, Z, Wang, W, Sun, J, Dong, Q, Liang, X, Ding, X, Chen, S, Dai, L, Zhang, Z, Zhu, B, Zhou, Z. | | Deposit date: | 2013-11-01 | | Release date: | 2014-04-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Anp32e, a higher eukaryotic histone chaperone directs preferential recognition for H2A.Z
Cell Res., 24, 2014
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4O6Y
 | | Crystal Structure of Cytochrome b561 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Probable transmembrane ascorbate ferrireductase 2, SULFATE ION | | Authors: | Lu, P, Ma, D, Yan, C, Gong, X, Du, M, Shi, Y. | | Deposit date: | 2013-12-24 | | Release date: | 2014-02-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and mechanism of a eukaryotic transmembrane ascorbate-dependent oxidoreductase
Proc.Natl.Acad.Sci.USA, 111, 2014
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4O7G
 | | Crystal Structure of Ascorbate-bound Cytochrome b561, crystal soaked in 1 M L-ascorbate for 40 minutes | | Descriptor: | ASCORBIC ACID, PROTOPORPHYRIN IX CONTAINING FE, Probable transmembrane ascorbate ferrireductase 2, ... | | Authors: | Lu, P, Ma, D, Yan, C, Gong, X, Du, M, Shi, Y. | | Deposit date: | 2013-12-24 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.211 Å) | | Cite: | Structure and mechanism of a eukaryotic transmembrane ascorbate-dependent oxidoreductase
Proc.Natl.Acad.Sci.USA, 111, 2014
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8IGU
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4K4Q
 | | TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site | | Descriptor: | 3-bromo-2,6-dimethoxybenzoic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... | | Authors: | Tiefenbrunn, T, Stout, C.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
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8IGW
 | | Hexameric Ring Complex of Engineered V1-ATPase bound to 4 ADPs: A3(De)3_(ADP)3cat,1non-cat, Hexameric Ring Complex of Engineered V1-ATPase bound to 5 ADPs: A3(De)3_(ADP)3cat,2non-cat | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type sodium ATPase catalytic subunit A, ... | | Authors: | Kosugi, T, Tanabe, M, Koga, N. | | Deposit date: | 2023-02-21 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
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8IGV
 | | Hexameric Ring Complex of Engineered V1-ATPase bound to 5 ADPs: A3(De)3_(ADP-Pi)1cat(ADP)2cat,2non-cat | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Kosugi, T, Tanabe, M, Koga, N. | | Deposit date: | 2023-02-21 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
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8IGF
 | | Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution | | Descriptor: | (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I. | | Deposit date: | 2023-02-20 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification, crystallization, and first X-ray structure analyses of phenyl boronic acid-based inhibitors of human carbonic anhydrase-II.
Int.J.Biol.Macromol., 267, 2024
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2WGY
 | | Crystal structure of the G243A mutant of CYP130 from M. tuberculosis | | Descriptor: | CYTOCHROME P450 130, ISOPROPYL ALCOHOL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. | | Deposit date: | 2009-04-28 | | Release date: | 2009-05-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.
J. Biol. Chem., 284, 2009
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6RQS
 | | RW16 peptide | | Descriptor: | ARG-ARG-TRP-ARG-ARG-TRP-TRP-ARG-ARG-TRP-TRP-ARG-ARG-TRP-ARG-ARG | | Authors: | Jobin, M.-L, Grelard, A, Alves, I, Mackereth, C.D. | | Deposit date: | 2019-05-16 | | Release date: | 2019-10-23 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Biophysical Insight on the Membrane Insertion of an Arginine-Rich Cell-Penetrating Peptide.
Int J Mol Sci, 20, 2019
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3AM7
 | | Crystal structure of the ternary complex of eIF4E-M7GTP-4EBP2 peptide | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 2 | | Authors: | Tomoo, K, Fukuyo, A, In, Y, Ishida, T. | | Deposit date: | 2010-08-17 | | Release date: | 2011-08-17 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural scaffold for eIF4E binding selectivity of 4E-BP isoforms: crystal structure of eIF4E binding region of 4E-BP2 and its comparison with that of 4E-BP1.
J.Pept.Sci., 17, 2011
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4K4P
 | | TL-3 inhibited Trp6Ala HIV Protease | | Descriptor: | HIV-1 protease, NITRATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Tiefenbrunn, T, Stout, C.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
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4DH5
 | | Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ADP, Phosphate, and IP20 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2012-01-27 | | Release date: | 2012-06-27 | | Last modified: | 2013-01-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
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3V4X
 | | The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthase, mvaS, by Hymeglusin | | Descriptor: | (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid, HMG-CoA synthase | | Authors: | Skaff, D.A, Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V, Miziorko, H.M. | | Deposit date: | 2011-12-15 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin.
Biochemistry, 51, 2012
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3V4N
 | | The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthatse, mvaS, by Hymeglusin | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HMG-CoA synthase | | Authors: | Skaff, D.A, Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V, Miziorko, H.M. | | Deposit date: | 2011-12-15 | | Release date: | 2012-04-25 | | Last modified: | 2014-09-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin.
Biochemistry, 51, 2012
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3O8O
 | | Structure of phosphofructokinase from Saccharomyces cerevisiae | | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase subunit alpha, ... | | Authors: | Banaszak, K, Mechin, I, Kopperschlager, G, Rypniewski, W. | | Deposit date: | 2010-08-03 | | Release date: | 2011-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
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8Q41
 | | Crystal structure of Can2 (E341A) bound to cA4 and TTTAAA ssDNA | | Descriptor: | Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*TP*TP*AP*AP*A)-3'), DUF1887 family protein, ... | | Authors: | Jungfer, K, Sigg, A, Jinek, M. | | Deposit date: | 2023-08-04 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
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8Q42
 | | Crystal structure of cA4-bound Can2 (E341A) in complex with oligo-A DNA | | Descriptor: | Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*AP*AP*AP*A)-3'), DUF1887 family protein, ... | | Authors: | Jungfer, K, Sigg, A, Jinek, M. | | Deposit date: | 2023-08-04 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
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8Q43
 | | Crystal structure of cA4-bound Can2 (E341A) in complex with oligo-C DNA | | Descriptor: | Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*CP*CP*CP*CP*C)-3'), DUF1887 family protein, ... | | Authors: | Jungfer, K, Sigg, A, Jinek, M. | | Deposit date: | 2023-08-04 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
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8Q44
 | | Crystal structure of cA4-bound Can2 (E364R) in complex with oligo-T DNA | | Descriptor: | Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*TP*TP*T)-3'), DUF1887 family protein, ... | | Authors: | Jungfer, K, Sigg, A, Jinek, M. | | Deposit date: | 2023-08-04 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
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