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8ESX
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BU of 8esx by Molmil
HIV protease in complex with benzoxaborolone analog of darunavir
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Windsor, I.W, Graham, B.J, Raines, R.T.
登録日2022-10-15
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability.
Acs Med.Chem.Lett., 14, 2023
8ESY
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BU of 8esy by Molmil
D30N mutant HIV protease in complex with benzoxaborolone analog of darunavir
分子名称: CHLORIDE ION, GLYCEROL, Protease, ...
著者Windsor, I.W, Graham, B.J, Raines, R.T.
登録日2022-10-15
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability.
Acs Med.Chem.Lett., 14, 2023
4RSD
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BU of 4rsd by Molmil
STRUCTURE OF THE D121A VARIANT OF RIBONUCLEASE A
分子名称: ACETATE ION, CHLORIDE ION, RIBONUCLEASE A
著者Schultz, L.W, Quirk, D.J, Raines, R.T.
登録日1998-02-05
公開日1998-07-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献His...Asp catalytic dyad of ribonuclease A: structure and function of the wild-type, D121N, and D121A enzymes.
Biochemistry, 37, 1998
4RSK
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BU of 4rsk by Molmil
STRUCTURE OF THE K7A/R10A/K66A VARIANT OF RIBONUCLEASE A COMPLEXED WITH 3'-UMP
分子名称: 3'-URIDINEMONOPHOSPHATE, RIBONUCLEASE A
著者Schultz, L.W, Fisher, B.M, Raines, R.T.
登録日1998-04-09
公開日1998-12-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Coulombic Effects of Remote Subsites on the Active Site of Ribonuclease A
Biochemistry, 37, 1998
3RSD
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BU of 3rsd by Molmil
STRUCTURE OF THE D121N VARIANT OF RIBONUCLEASE A
分子名称: RIBONUCLEASE A
著者Schultz, L.W, Quirk, D.J, Raines, R.T.
登録日1998-02-05
公開日1998-07-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献His...Asp catalytic dyad of ribonuclease A: structure and function of the wild-type, D121N, and D121A enzymes.
Biochemistry, 37, 1998
3RSK
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BU of 3rsk by Molmil
STRUCTURE OF THE K7A/R10A/K66A VARIANT OF RIBONUCLEASE A
分子名称: ACETATE ION, RIBONUCLEASE A
著者Schultz, L.W, Fisher, B.M, Raines, R.T.
登録日1998-04-09
公開日1998-07-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Coulombic Effects of Remote Subsites on the Active Site of Ribonuclease A
Biochemistry, 37, 1998
3IPN
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BU of 3ipn by Molmil
Crystal Structure of fluorine and methyl modified collagen: (mepFlpgly)7
分子名称: CARBONATE ION, Non-natural Collagen
著者Satyshur, K.A, Shoulders, M.D, Raines, R.T, Forest, K.T.
登録日2009-08-18
公開日2010-02-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Stereoelectronic and steric effects in side chains preorganize a protein main chain.
Proc.Natl.Acad.Sci.USA, 107, 2010
6PVU
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BU of 6pvu by Molmil
RNase A in complex with hexametaphosphate
分子名称: 2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone, Ribonuclease pancreatic
著者Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T.
登録日2019-07-21
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
6PVW
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BU of 6pvw by Molmil
RNase A in complex with cp4pA
分子名称: 2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone, 5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine, Ribonuclease pancreatic
著者Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T.
登録日2019-07-21
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
6PVX
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BU of 6pvx by Molmil
RNase A in complex with p5U
分子名称: 5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic
著者Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T.
登録日2019-07-21
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
6PVV
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BU of 6pvv by Molmil
RNase A in complex with p5A
分子名称: ADENOSINE-5'-PENTAPHOSPHATE, Ribonuclease pancreatic
著者Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T.
登録日2019-07-21
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
6U0Q
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BU of 6u0q by Molmil
Transthyretin in complex with (E)-5,5'-(ethene-1,2-diyl)bis(1,1-dihydroxy-3-oxo-1,3-dihydrobenzo[c][1,2]oxaborol-1-uide)
分子名称: 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Transthyretin
著者Windsor, I.W, Graham, B.J, Raines, R.T.
登録日2019-08-14
公開日2021-01-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Boronic acid with high oxidative stability and utility in biological contexts.
Proc.Natl.Acad.Sci.USA, 118, 2021
6USC
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BU of 6usc by Molmil
Structure of Human Intelectin-1 in complex with KO
分子名称: CALCIUM ION, CHLORIDE ION, Intelectin-1, ...
著者Windsor, I.W, Isabella, C.R, Kosma, P, Raines, R.T, Kiessling, L.L.
登録日2019-10-25
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Stereoelectronic Effects Impact Glycan Recognition.
J.Am.Chem.Soc., 142, 2020
2GMK
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BU of 2gmk by Molmil
Crystal structure of onconase double mutant with spontaneously-assembled (AMP) 4 stack
分子名称: ADENOSINE MONOPHOSPHATE, P-30 protein
著者Bae, E, Lee, J.E, Raines, R.T, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2006-04-06
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for catalysis by onconase.
J.Mol.Biol., 375, 2008
2XOG
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BU of 2xog by Molmil
Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A
分子名称: (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC
著者Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R.
登録日2010-08-16
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A.
FEBS J., 278, 2011
2XOI
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BU of 2xoi by Molmil
Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A
分子名称: (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC
著者Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R.
登録日2010-08-17
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A.
FEBS J., 278, 2011
2I5S
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BU of 2i5s by Molmil
Crystal structure of onconase with bound nucleic acid
分子名称: 5'-D(*A*(DU)P*GP*A)-3', P-30 protein
著者Bae, E, Lee, J.E, Raines, R.T, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2006-08-25
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for catalysis by onconase.
J.Mol.Biol., 375, 2008
4ISJ
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BU of 4isj by Molmil
RNA Ligase RtcB in complex with Mn(II)
分子名称: MANGANESE (II) ION, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ...
著者Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T.
登録日2013-01-16
公開日2013-03-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.344 Å)
主引用文献Structures of the Noncanonical RNA Ligase RtcB Reveal the Mechanism of Histidine Guanylylation.
Biochemistry, 52, 2013
4IT0
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BU of 4it0 by Molmil
Structure of the RNA ligase RtcB-GMP/Mn(II) complex
分子名称: GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ...
著者Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T.
登録日2013-01-17
公開日2013-03-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of the Noncanonical RNA Ligase RtcB Reveal the Mechanism of Histidine Guanylylation.
Biochemistry, 52, 2013
4ISZ
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BU of 4isz by Molmil
RNA ligase RtcB in complex with GTP alphaS and Mn(II)
分子名称: GUANOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ...
著者Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T.
登録日2013-01-17
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Structures of the Noncanonical RNA Ligase RtcB Reveal the Mechanism of Histidine Guanylylation.
Biochemistry, 52, 2013
3RSP
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BU of 3rsp by Molmil
STRUCTURE OF THE P93G VARIANT OF RIBONUCLEASE A
分子名称: CHLORIDE ION, RIBONUCLEASE A
著者Schultz, L.W, Hargraves, S.R, Klink, T.A, Raines, R.T.
登録日1997-10-20
公開日1998-04-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and stability of the P93G variant of ribonuclease A.
Protein Sci., 7, 1998
3TSR
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BU of 3tsr by Molmil
X-ray structure of mouse ribonuclease inhibitor complexed with mouse ribonuclease 1
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribonuclease inhibitor, ...
著者Chang, A, Lomax, J.E, Bingman, C.A, Raines, R.T, Phillips Jr, G.N.
登録日2011-09-13
公開日2012-09-19
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.1999 Å)
主引用文献Functional evolution of ribonuclease inhibitor: insights from birds and reptiles.
J.Mol.Biol., 426, 2014
6BRA
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BU of 6bra by Molmil
HIV-1 protease (D25N, inactive) in complex with phage display optimized substrate SGIFLETS
分子名称: CHLORIDE ION, Phage display-optimized HIV-1 protease substrate, Protease
著者Windsor, I.W, Raines, R.T.
登録日2017-11-30
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.111 Å)
主引用文献A substrate selected by phage display exhibits enhanced side-chain hydrogen bonding to HIV-1 protease.
Acta Crystallogr D Struct Biol, 74, 2018
6C8Y
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BU of 6c8y by Molmil
D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir
分子名称: CHLORIDE ION, GLYCEROL, Protease, ...
著者Windsor, I.W, Raines, R.T, Forest, K.T.
登録日2018-01-25
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
6C8X
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BU of 6c8x by Molmil
Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir
分子名称: CHLORIDE ION, GLYCEROL, Protease, ...
著者Windsor, I.W, Raines, R.T, Forest, K.T.
登録日2018-01-25
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.613 Å)
主引用文献Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018

 

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