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PDB: 1086 件
5KZV
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Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with 20(S)-hydroxycholesterol
分子名称: (3alpha,8alpha)-cholest-5-ene-3,20-diol, Smoothened
著者Huang, P, Kim, Y, Salic, A.
登録日2016-07-25
公開日2016-08-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.616 Å)
主引用文献Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
5KZY
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Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with cyclopamine
分子名称: Cyclopamine, Smoothened
著者Huang, P, Kim, Y, Salic, A.
登録日2016-07-25
公開日2016-08-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.484 Å)
主引用文献Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
5KZZ
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Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in its apo-form
分子名称: ACETATE ION, GLYCEROL, Smoothened, ...
著者Huang, P, Kim, Y, Salic, A.
登録日2016-07-25
公開日2016-08-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.332 Å)
主引用文献Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
7LDQ
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BU of 7ldq by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846
分子名称: ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-01-13
公開日2021-01-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846
To Be Published
4R8A
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BU of 4r8a by Molmil
Crystal structure of paFAN1 - 5' flap DNA complex
分子名称: DNA (5'-D(P*AP*CP*CP*AP*GP*AP*CP*AP*CP*AP*CP*AP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*A)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ...
著者Cho, Y, Gwon, G.H, Kim, Y.R.
登録日2014-08-30
公開日2014-10-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a Fanconi anemia-associated nuclease homolog bound to 5' flap DNA: basis of interstrand cross-link repair by FAN1
Genes Dev., 28, 2014
7RZP
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BU of 7rzp by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2866
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Dihydropteridine reductase, ...
著者Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-08-27
公開日2021-09-29
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
7RZL
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Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846 in complex with 4-nitrophenol
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
著者Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-08-27
公開日2021-09-29
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
7S1A
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Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae Rd KW20
分子名称: ACETIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-09-01
公開日2021-10-06
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
6JHW
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Structure of anti-CRISPR AcrIIC3 and NmeCas9 HNH
分子名称: AcrIIC3, CRISPR-associated endonuclease Cas9
著者Suh, J.Y, Lee, B.J, Lee, S.J, Kim, Y.
登録日2019-02-19
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Anti-CRISPR AcrIIC3 discriminates between Cas9 orthologs via targeting the variable surface of the HNH nuclease domain.
Febs J., 286, 2019
4XBB
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BU of 4xbb by Molmil
1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate
分子名称: 3C-LIKE PROTEASE, SULFATE ION, diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O.
登録日2014-12-16
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
6JHV
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Structure of anti-CRISPR AcrIIC3
分子名称: AcrIIC3
著者Suh, J.Y, Lee, B.J, Lee, S.J, Kim, Y.
登録日2019-02-19
公開日2019-08-28
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.321 Å)
主引用文献Anti-CRISPR AcrIIC3 discriminates between Cas9 orthologs via targeting the variable surface of the HNH nuclease domain.
Febs J., 286, 2019
6WCF
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BU of 6wcf by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 3
著者Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-30
公開日2020-04-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.065 Å)
主引用文献Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
4DCD
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BU of 4dcd by Molmil
1.6A resolution structure of PolioVirus 3C Protease Containing a covalently bound dipeptidyl inhibitor
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Genome polyprotein, ...
著者Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O.
登録日2012-01-17
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
4AP9
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BU of 4ap9 by Molmil
Crystal structure of phosphoserine phosphatase from T. onnurineus in complex with NDSB-201
分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, PHOSPHOSERINE PHOSPHATASE
著者Jung, T.-Y, Kim, Y.-S, Song, H.-N, Woo, E.
登録日2012-03-31
公開日2012-12-26
最終更新日2013-04-17
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Identification of a Novel Ligand Binding Site in Phosphoserine Phosphatase from the Hyperthermophilic Archaeon Thermococcus Onnurineus.
Proteins, 81, 2013
4V3I
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BU of 4v3i by Molmil
Crystal Structure of TssL from Vibrio cholerae.
分子名称: GLYCEROL, VCA0115
著者Jeong, J.H, Kim, Y.G.
登録日2014-10-19
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Crystal structure of the bacterial type VI secretion system component TssL from Vibrio cholerae.
J. Microbiol., 53, 2015
8GHX
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Crystal Structure of CelD Cellulase from the Anaerobic Fungus Piromyces finnis
分子名称: 1,2-ETHANEDIOL, Cellulase CelD
著者Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A.
登録日2023-03-13
公開日2023-05-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
8GHY
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Crystal Structure of the E154D mutant CelD Cellulase from the Anaerobic Fungus Piromyces finnis in the complex with cellotriose.
分子名称: Cellulase CelD, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A.
登録日2023-03-13
公開日2023-05-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
4XBD
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BU of 4xbd by Molmil
1.45A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Orthorhombic P Form)
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O.
登録日2014-12-16
公開日2015-03-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
6UHA
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BU of 6uha by Molmil
Open-form Crystal Structure of Human RYR Receptor 3 ( 848-1055)
分子名称: DI(HYDROXYETHYL)ETHER, Ryanodine receptor 3
著者Wu, R, Kim, Y, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2019-09-27
公開日2020-08-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.855 Å)
主引用文献Open-form Crystal Structure of Human RYR Receptor 3 ( 848-1055)
To Be Published
4XBC
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1.60 A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Hexagonal Form)
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE, TETRAETHYLENE GLYCOL
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O.
登録日2014-12-16
公開日2015-03-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
8GMH
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Crystal Structure of the ternary complex of TelA-LXG, LapA3, and LapA4
分子名称: 1,2-ETHANEDIOL, LXG domain-containing protein, LapA3, ...
著者Klein, T.A, Shah, P.Y, Gkragkopoulou, P, Grebenc, D.W, Kim, Y, Whitney, J.C.
登録日2023-03-25
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a tripartite protein complex that targets toxins to the type VII secretion system.
Proc.Natl.Acad.Sci.USA, 121, 2024
7K0G
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1.85 A resolution structure of SARS-CoV 3CL protease in complex with deuterated GC376
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1a
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C.
登録日2020-09-04
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
6VGY
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2.05 A resolution structure of MERS 3CL protease in complex with inhibitor 6b
分子名称: N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein
著者Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-01-09
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
7KOA
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BU of 7koa by Molmil
Room Temperature Structure of SARS-CoV-2 Nsp10/16 Methyltransferase in a Complex with Cap-0 and SAM Determined by Pink-Beam Serial Crystallography
分子名称: 2'-O-methyltransferase, Non-structural protein 10, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, ...
著者Wilamowski, M, Sherrell, D.A, Minasov, G, Shuvalova, L, Lavens, A, Henning, R, Maltseva, N, Rosas-Lemus, M, Kim, Y, Satchell, K.J.F, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-11-07
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with Cap-0 and SAM Determined by Pink-Beam Serial Crystallography
To Be Published
6VC6
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2.1 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Mn2+
分子名称: 6-O-phosphono-alpha-D-glucopyranose, 6-phospho-alpha-glucosidase, GLYCEROL, ...
著者Wu, R, Kim, Y, Endres, M, Joachimiak, J.
登録日2019-12-20
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.133 Å)
主引用文献2.1 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Mn2+
To Be Published

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件を2024-07-31に公開中

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