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4WGJ
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Crystal Structure of BepC protein (VirB-translocated Bartonella effector protein) with bound AMPPNP from Bartonella tribocorum
分子名称: 1,2-ETHANEDIOL, BepC protein, GLYCINE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-09-18
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module.
Microorganisms, 9, 2021
3LFZ
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BU of 3lfz by Molmil
Crystal Structure of Protein MJ1225 from Methanocaldococcus jannaschii, a putative archaeal homolog of g-AMPK.
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Gomez-Garcia, I, Oyenarte, I, Kortazar, D, Martinez-Cruz, L.A.
登録日2010-01-19
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
8FE8
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Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1
分子名称: 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, ...
著者Rumrill, S, Ruiz, F.X, Arnold, E.
登録日2022-12-05
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.
Commun Chem, 6, 2023
4K4R
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BU of 4k4r by Molmil
TL-3 inhibited Trp6Ala HIV Protease with 1-bromo-2-napthoic acid bound in exosite
分子名称: 1-bromonaphthalene-2-carboxylic acid, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2013-04-12
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
1ABN
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BU of 1abn by Molmil
THE CRYSTAL STRUCTURE OF THE ALDOSE REDUCTASE NADPH BINARY COMPLEX
分子名称: ALDOSE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Borhani, D.W, Harter, T.M, Petrash, J.M.
登録日1992-09-03
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of the aldose reductase.NADPH binary complex.
J.Biol.Chem., 267, 1992
4NFT
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BU of 4nft by Molmil
Crystal structure of human lnkH2B-h2A.Z-Anp32e
分子名称: Acidic leucine-rich nuclear phosphoprotein 32 family member E, Histone H2B type 2-E, Histone H2A.Z
著者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.
登録日2013-11-01
公開日2014-04-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Anp32e, a higher eukaryotic histone chaperone directs preferential recognition for H2A.Z
Cell Res., 24, 2014
4O6Y
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Crystal Structure of Cytochrome b561
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Probable transmembrane ascorbate ferrireductase 2, SULFATE ION
著者Lu, P, Ma, D, Yan, C, Gong, X, Du, M, Shi, Y.
登録日2013-12-24
公開日2014-02-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and mechanism of a eukaryotic transmembrane ascorbate-dependent oxidoreductase
Proc.Natl.Acad.Sci.USA, 111, 2014
8IGU
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Hexameric Ring Complex of Engineered V1-ATPase: A3(De)3_empty
分子名称: V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B
著者Kosugi, T, Tanabe, M, Koga, N.
登録日2023-02-21
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
4O7G
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Crystal Structure of Ascorbate-bound Cytochrome b561, crystal soaked in 1 M L-ascorbate for 40 minutes
分子名称: ASCORBIC ACID, PROTOPORPHYRIN IX CONTAINING FE, Probable transmembrane ascorbate ferrireductase 2, ...
著者Lu, P, Ma, D, Yan, C, Gong, X, Du, M, Shi, Y.
登録日2013-12-24
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.211 Å)
主引用文献Structure and mechanism of a eukaryotic transmembrane ascorbate-dependent oxidoreductase
Proc.Natl.Acad.Sci.USA, 111, 2014
4K4Q
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TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site
分子名称: 3-bromo-2,6-dimethoxybenzoic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2013-04-12
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
8IGW
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BU of 8igw by Molmil
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
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type sodium ATPase catalytic subunit A, ...
著者Kosugi, T, Tanabe, M, Koga, N.
登録日2023-02-21
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
8IGV
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BU of 8igv by Molmil
Hexameric Ring Complex of Engineered V1-ATPase bound to 5 ADPs: A3(De)3_(ADP-Pi)1cat(ADP)2cat,2non-cat
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Kosugi, T, Tanabe, M, Koga, N.
登録日2023-02-21
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
8IGF
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Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution
分子名称: (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I.
登録日2023-02-20
公開日2024-02-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
2WGY
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BU of 2wgy by Molmil
Crystal structure of the G243A mutant of CYP130 from M. tuberculosis
分子名称: CYTOCHROME P450 130, ISOPROPYL ALCOHOL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R.
登録日2009-04-28
公開日2009-05-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.
J. Biol. Chem., 284, 2009
6RQS
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BU of 6rqs by Molmil
RW16 peptide
分子名称: ARG-ARG-TRP-ARG-ARG-TRP-TRP-ARG-ARG-TRP-TRP-ARG-ARG-TRP-ARG-ARG
著者Jobin, M.-L, Grelard, A, Alves, I, Mackereth, C.D.
登録日2019-05-16
公開日2019-10-23
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Biophysical Insight on the Membrane Insertion of an Arginine-Rich Cell-Penetrating Peptide.
Int J Mol Sci, 20, 2019
3AM7
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BU of 3am7 by Molmil
Crystal structure of the ternary complex of eIF4E-M7GTP-4EBP2 peptide
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 2
著者Tomoo, K, Fukuyo, A, In, Y, Ishida, T.
登録日2010-08-17
公開日2011-08-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
4K4P
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BU of 4k4p by Molmil
TL-3 inhibited Trp6Ala HIV Protease
分子名称: 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
著者Tiefenbrunn, T, Stout, C.D.
登録日2013-04-12
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
4DH5
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BU of 4dh5 by Molmil
Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ADP, Phosphate, and IP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Kovalevsky, A.Y, Langan, P.
登録日2012-01-27
公開日2012-06-27
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
3V4X
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The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthase, mvaS, by Hymeglusin
分子名称: (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid, HMG-CoA synthase
著者Skaff, D.A, Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V, Miziorko, H.M.
登録日2011-12-15
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin.
Biochemistry, 51, 2012
3V4N
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The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthatse, mvaS, by Hymeglusin
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HMG-CoA synthase
著者Skaff, D.A, Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V, Miziorko, H.M.
登録日2011-12-15
公開日2012-04-25
最終更新日2014-09-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin.
Biochemistry, 51, 2012
3O8O
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BU of 3o8o by Molmil
Structure of phosphofructokinase from Saccharomyces cerevisiae
分子名称: 2,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase subunit alpha, ...
著者Banaszak, K, Mechin, I, Kopperschlager, G, Rypniewski, W.
登録日2010-08-03
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
8Q41
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Crystal structure of Can2 (E341A) bound to cA4 and TTTAAA ssDNA
分子名称: Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*TP*TP*AP*AP*A)-3'), DUF1887 family protein, ...
著者Jungfer, K, Sigg, A, Jinek, M.
登録日2023-08-04
公開日2023-11-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
8Q42
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Crystal structure of cA4-bound Can2 (E341A) in complex with oligo-A DNA
分子名称: Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*AP*AP*AP*A)-3'), DUF1887 family protein, ...
著者Jungfer, K, Sigg, A, Jinek, M.
登録日2023-08-04
公開日2023-11-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
8Q43
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Crystal structure of cA4-bound Can2 (E341A) in complex with oligo-C DNA
分子名称: Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*CP*CP*CP*CP*C)-3'), DUF1887 family protein, ...
著者Jungfer, K, Sigg, A, Jinek, M.
登録日2023-08-04
公開日2023-11-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
8Q44
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Crystal structure of cA4-bound Can2 (E364R) in complex with oligo-T DNA
分子名称: Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*TP*TP*T)-3'), DUF1887 family protein, ...
著者Jungfer, K, Sigg, A, Jinek, M.
登録日2023-08-04
公開日2023-11-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024

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