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3AIE
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BU of 3aie by Molmil
Crystal Structure of glucansucrase from Streptococcus mutans
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glucosyltransferase-SI
著者Ito, K, Ito, S, Shimamura, T, Iwata, S.
登録日2010-05-12
公開日2011-03-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans.
J.Mol.Biol., 408, 2011
4KCS
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BU of 4kcs by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-(3-((ethyl(3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2013-04-24
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KCL
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BU of 4kcl by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with N-(4-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-(4-{2-[(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide, ...
著者Li, H, Poulos, T.L.
登録日2013-04-24
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
3AIB
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BU of 3aib by Molmil
Crystal Structure of Glucansucrase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glucosyltransferase-SI, ...
著者Ito, K, Ito, S, Shimamura, T, Iwata, S.
登録日2010-05-12
公開日2011-03-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans.
J.Mol.Biol., 408, 2011
4KCO
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BU of 4kco by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with N-(3-((ethyl(3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, BROMIDE ION, N-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide, ...
著者Li, H, Poulos, T.L.
登録日2013-04-24
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KCP
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BU of 4kcp by Molmil
Structure of bovine endotheial nitric oxide synthase heme domain in complex with N-(4-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2013-04-24
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
1NSC
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BU of 1nsc by Molmil
INFLUENZA B VIRUS NEURAMINIDASE CAN SYNTHESIZE ITS OWN INHIBITOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ...
著者Burmeister, W.P, Ruigrok, R.W.H, Cusack, S.
登録日1993-05-24
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Influenza B virus neuraminidase can synthesize its own inhibitor.
Structure, 1, 1993
3AIC
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BU of 3aic by Molmil
Crystal Structure of Glucansucrase from Streptococcus mutans
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, ...
著者Ito, K, Ito, S, Shimamura, T, Iwata, S.
登録日2010-05-12
公開日2011-03-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans.
J.Mol.Biol., 408, 2011
7NPL
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BU of 7npl by Molmil
ALPHA-1 ANTITRYPSIN (C232S) COMPLEXED WITH cmpd 11
分子名称: Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide
著者Chung, C.
登録日2021-02-27
公開日2021-04-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
7NPK
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BU of 7npk by Molmil
ALPHA-1 ANTITRYPSIN C232S COMPLEXED WITH CMPD3
分子名称: Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide
著者Chung, C.
登録日2021-02-27
公開日2021-04-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
7VHV
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BU of 7vhv by Molmil
Crystal structure of S. aureus D-alanine alanyl carrier protein ligase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanyl carrier protein ligase, MAGNESIUM ION
著者Lee, B.J, Lee, I.-G, Im, H.G, Yoon, H.J.
登録日2021-09-23
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and functional analysis of the D-alanyl carrier protein ligase DltA from Staphylococcus aureus Mu50.
Acta Crystallogr D Struct Biol, 78, 2022
2GUT
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BU of 2gut by Molmil
Solution structure of the trans-activation domain of the human co-activator ARC105
分子名称: ARC/MEDIATOR, Positive cofactor 2 glutamine/Q-rich-associated protein
著者Vought, B.W, Jim Sun, Z.-Y, Hyberts, S.G, Wagner, G, Naar, A.M.
登録日2006-05-01
公開日2006-08-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献An ARC/Mediator subunit required for SREBP control of cholesterol and lipid homeostasis.
Nature, 442, 2006
1NSD
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BU of 1nsd by Molmil
INFLUENZA B VIRUS NEURAMINIDASE CAN SYNTHESIZE ITS OWN INHIBITOR
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Burmeister, W.P, Ruigrok, R.W.H, Cusack, S.
登録日1993-05-24
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Influenza B virus neuraminidase can synthesize its own inhibitor.
Structure, 1, 1993
1YGC
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BU of 1ygc by Molmil
Short Factor VIIa with a small molecule inhibitor
分子名称: (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ...
著者Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D.
登録日2005-01-04
公開日2005-01-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo.
J.Biol.Chem., 280, 2005
3TKJ
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BU of 3tkj by Molmil
Crystal Structure of Human Asparaginase-like Protein 1 Thr168Ala
分子名称: L-asparaginase, SODIUM ION, SULFATE ION, ...
著者Li, W.Z, Yogesha, S.D, Liu, J, Zhang, Y.
登録日2011-08-26
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Uncoupling Intramolecular Processing and Substrate Hydrolysis in the N-Terminal Nucleophile Hydrolase hASRGL1 by Circular Permutation.
Acs Chem.Biol., 7, 2012
7C2J
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BU of 7c2j by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)
分子名称: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
著者Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
登録日2020-05-07
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
7CWB
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BU of 7cwb by Molmil
Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 1.9 A Resolution (C121)
分子名称: 3C-like proteinase
著者DeMirci, H.
登録日2020-08-27
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Structure, 29, 2021
7CWC
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BU of 7cwc by Molmil
Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 2.1 A Resolution (P212121)
分子名称: 3C-like proteinase
著者DeMirci, H.
登録日2020-08-27
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Structure, 29, 2021
7C2I
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BU of 7c2i by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization)
分子名称: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
著者Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
登録日2020-05-07
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
8JRE
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BU of 8jre by Molmil
Cryo-EM structure of a designed AAV8-based vector
分子名称: Capsid protein
著者Ke, X, Luo, S, Zheng, Q, Jiang, H, Liu, F, Sun, X.
登録日2023-06-16
公開日2024-04-24
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.08 Å)
主引用文献An adeno-associated virus variant enabling efficient ocular-directed gene delivery across species.
Nat Commun, 15, 2024
5ZVV
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BU of 5zvv by Molmil
Structure of SeMet-phAimR
分子名称: AimR transcriptional regulator, GLYCEROL
著者Cheng, W, Dou, C.
登録日2018-05-13
公開日2018-09-05
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
5ZW6
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BU of 5zw6 by Molmil
Structure of spAimR
分子名称: AimR transcriptional regulator, GLY-MET-PRO-ARG-GLY-ALA
著者Cheng, W, Dou, C.
登録日2018-05-14
公開日2018-09-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
5ZW5
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BU of 5zw5 by Molmil
Structure of SeMet-spAimR
分子名称: AimR transcriptional regulator
著者Cheng, W, Dou, C.
登録日2018-05-14
公開日2018-08-29
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
1NSB
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BU of 1nsb by Molmil
THE 2.2 ANGSTROMS RESOLUTION CRYSTAL STRUCTURE OF INFLUENZA B NEURAMINIDASE AND ITS COMPLEX WITH SIALIC ACID
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE
著者Burmeister, W.P, Ruigrok, R.W.H, Cusack, S.
登録日1991-08-08
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The 2.2 A resolution crystal structure of influenza B neuraminidase and its complex with sialic acid.
EMBO J., 11, 1992
4A5W
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BU of 4a5w by Molmil
Crystal structure of C5b6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COMPLEMENT C5, ...
著者Hadders, M.A, Bubeck, D, Forneris, F, Pangburn, M, Llorca, O, Lea, S.M, Gros, P.
登録日2011-10-28
公開日2012-03-14
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Assembly and Regulation of the Membrane Attack Complex Based on Structures of C5B6 and Sc5B9.
Cell Rep., 1, 2012

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