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7KNY
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BU of 7kny by Molmil
The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988528
分子名称: 2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, White, S.W.
登録日2020-11-06
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988528
To Be Published
7KOP
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BU of 7kop by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539
分子名称: 2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Seetharaman, J, White, S.W.
登録日2020-11-09
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539
To Be Published
7LUX
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BU of 7lux by Molmil
AALALL segment from the Nucleoprotein of SARS-CoV-2, residues 217-222, crystal form 2
分子名称: Nucleoprotein AALALL, TETRAETHYLENE GLYCOL
著者Lu, J, Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S.
登録日2021-02-23
公開日2021-03-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.303 Å)
主引用文献Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
7LTU
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BU of 7ltu by Molmil
AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2, RESIDUES 217-222, CRYSTAL FORM 1
分子名称: AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2,RESIDUES 217-222, trifluoroacetic acid
著者Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S.
登録日2021-02-20
公開日2021-03-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.122 Å)
主引用文献Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
3SX9
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BU of 3sx9 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-132
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A.
登録日2011-07-14
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3QZZ
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BU of 3qzz by Molmil
3D Structure of Ferric Methanosarcina Acetivorans Protoglobin Y61W mutant in Aquomet form
分子名称: Methanosarcina acetivorans protoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M.
登録日2011-03-07
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
7LP8
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BU of 7lp8 by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
分子名称: (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2021-02-11
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
To Be Published
7LP7
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BU of 7lp7 by Molmil
The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
分子名称: (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2021-02-11
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
To Be Published
7ML8
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BU of 7ml8 by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ001023038
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide, GLUTAMIC ACID, Hexa Vinylpyrrolidone K15, ...
著者Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W.
登録日2021-04-27
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with St Jude compound AC067-19
To Be Published
7MPC
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BU of 7mpc by Molmil
Structure of SsoPTP bound to vanadate
分子名称: SsoPTP, VANADATE ION
著者Pinkston, J.A, Olsen, K.J, Hengge, A.C, Johnson, S.J.
登録日2021-05-04
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Significant Loop Motions in the SsoPTP Protein Tyrosine Phosphatase Allow for Dual General Acid Functionality.
Biochemistry, 60, 2021
7MPD
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BU of 7mpd by Molmil
Structure of SsoPTP bound to 2-chloroethylsulfonate
分子名称: 2-chloroethane-1-sulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SsoPTP
著者Pinkston, J.A, Olsen, K.J, Hengge, A.C, Johnson, S.J.
登録日2021-05-04
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Significant Loop Motions in the SsoPTP Protein Tyrosine Phosphatase Allow for Dual General Acid Functionality.
Biochemistry, 60, 2021
3QU9
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BU of 3qu9 by Molmil
Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13asn mutant complexed with magnesium and tartrate
分子名称: CHLORIDE ION, GLYCEROL, INORGANIC PYROPHOSPHATASE, ...
著者Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI)
登録日2011-02-23
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
3R0G
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BU of 3r0g by Molmil
3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F mutant in Aquomet form
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M.
登録日2011-03-08
公開日2011-06-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
3R9K
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BU of 3r9k by Molmil
Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47asp mutant complexed with sulfate, a closed cap conformation
分子名称: Putative beta-phosphoglucomutase, SULFATE ION
著者Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI)
登録日2011-03-25
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
3SHI
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BU of 3shi by Molmil
Crystal structure of human MMP1 catalytic domain at 2.2 A resolution
分子名称: CALCIUM ION, Interstitial collagenase, ZINC ION
著者Bertini, I, Calderone, V, Cerofolini, L, Fragai, M, Geraldes, C.F.G.C, Hermann, P, Luchinat, C, Parigi, G, Teixeira, J.
登録日2011-06-16
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The catalytic domain of MMP-1 studied through tagged lanthanides.
Febs Lett., 586, 2012
3TUL
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BU of 3tul by Molmil
Crystal structure of N-terminal region of Type III Secretion Major Translocator SipB (residues 82-226)
分子名称: Cell invasion protein sipB
著者Barta, M.L, Dickenson, N.E, Patel, M, Keightley, J.A, Picking, W.D, Picking, W.L, Geisbrecht, B.V.
登録日2011-09-16
公開日2012-02-15
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献The Structures of Coiled-Coil Domains from Type III Secretion System Translocators Reveal Homology to Pore-Forming Toxins.
J.Mol.Biol., 417, 2012
3QZX
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BU of 3qzx by Molmil
3D Structure of ferric methanosarcina acetivorans protoglobin Y61A mutant with unknown ligand
分子名称: GLYCEROL, Methanosarcina acetivorans protoglobin, PHOSPHATE ION, ...
著者Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M.
登録日2011-03-07
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
3RMG
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BU of 3rmg by Molmil
Crystal structure of geranylgeranyl pyrophosphate synthase from bacteroides thetaiotaomicron
分子名称: Octaprenyl-diphosphate synthase
著者Patskovsky, Y, Toro, R, Sauder, J.M, Poulter, C.D, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2011-04-20
公開日2011-05-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
3TS7
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BU of 3ts7 by Molmil
CRYSTAL STRUCTURE OF FARNESYL DIPHOSPHATE SYNTHASE (TARGET EFI-501951) FROM Methylococcus capsulatus
分子名称: Geranyltranstransferase, PHOSPHATE ION
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2011-09-12
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
7MX0
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BU of 7mx0 by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988558
分子名称: 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-05-17
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988558
To Be Published
7MY5
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BU of 7my5 by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-05-20
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
To Be Published
3UBV
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BU of 3ubv by Molmil
Oxygen-bound hell's gate globin I by classical hanging drop
分子名称: Hemoglobin-like flavoprotein, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
著者Scudieri, D, Belmonte, L, Saito, J.A, Alam, M, Nicolini, C, Pechkova, E.
登録日2011-10-25
公開日2012-03-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Oxygen-bound Hell's gate globin I by classical versus LB nanotemplate method.
J.Cell.Biochem., 8, 2012
3UCA
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BU of 3uca by Molmil
Crystal structure of isoprenoid synthase (target EFI-501974) from clostridium perfringens
分子名称: Geranyltranstransferase
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2011-10-26
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
3QXG
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BU of 3qxg by Molmil
Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron complexed with calcium, a closed cap conformation
分子名称: ACETATE ION, CALCIUM ION, INORGANIC PYROPHOSPHATASE, ...
著者Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI)
登録日2011-03-01
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
3QU4
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BU of 3qu4 by Molmil
Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13ala mutant
分子名称: ACETATE ION, CHLORIDE ION, INORGANIC PYROPHOSPHATASE, ...
著者Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI)
登録日2011-02-23
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011

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