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7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
2PZ9
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BU of 2pz9 by Molmil
Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor
分子名称: Putative regulatory protein, SULFATE ION
著者Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2007-05-17
公開日2007-06-19
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献In situ proteolysis for protein crystallization and structure determination.
Nat.Methods, 4, 2007
7RGN
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BU of 7rgn by Molmil
Crystal structure of putative fructose-1,6-bisphosphate aldolase from Candida auris
分子名称: Fructose-bisphosphate aldolase, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Stogios, P.J, Evdokimova, E, Tan, K, Di Leo, R, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-15
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of putative fructose-1,6-bisphosphate aldolase from Candida auris
To Be Published
7REU
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BU of 7reu by Molmil
Crystal structure of Aro4p, 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase from Candida auris, L-Tyr complex
分子名称: 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase, CHLORIDE ION, GLYCEROL, ...
著者Stogios, P.J, Evdokimova, E, Tan, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-13
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal structure of Aro4p, 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase from Candida auris, L-Tyr complex
To Be Published
7RJ1
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BU of 7rj1 by Molmil
Crystal structure of Aro7p chorismate mutase from Candida albicans, complex with L-Trp
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chorismate mutase, ...
著者Stogios, P.J, Evdokimova, E, Tan, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-20
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of Aro7p chorismate mutase from Candida albicans, complex with L-Trp
To Be Published
1CE0
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BU of 1ce0 by Molmil
TRIMERIZATION SPECIFICITY IN HIV-1 GP41: ANALYSIS WITH A GCN4 LEUCINE ZIPPER MODEL
分子名称: PROTEIN (LEUCINE ZIPPER MODEL H38-P1)
著者Shu, W, Ji, H, Lu, M.
登録日1999-03-12
公開日1999-03-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Trimerization specificity in HIV-1 gp41: analysis with a GCN4 leucine zipper model.
Biochemistry, 38, 1999
7TQ1
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BU of 7tq1 by Molmil
Crystal structure of adaptive laboratory evolved sulfonamide-resistant Dihydropteroate Synthase (DHPS) from Escherichia coli in complex with 6-hydroxymethylpterin
分子名称: 6-HYDROXYMETHYLPTERIN, Dihydropteroate synthase
著者Stogios, P.J, Skarina, T, Tan, K, Venkatesan, M, Fruci, M, Joachimiak, A, Savchenko, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-01-26
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
7KD1
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BU of 7kd1 by Molmil
Apo structure of the THF riboswitch aptamer domain
分子名称: MAGNESIUM ION, SULFATE ION, tetrahydrofolate riboswitch aptamer domain
著者Wilt, H.M, Stagno, J.R, Wang, Y.-X.
登録日2020-10-07
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tying the knot in the tetrahydrofolate (THF) riboswitch: A molecular basis for gene regulation.
J.Struct.Biol., 213, 2021
4EJ7
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BU of 4ej7 by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, ATP-bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Aminoglycoside 3'-phosphotransferase AphA1-IAB, CALCIUM ION, ...
著者Stogios, P.J, Minasov, G, Tan, K, Evdokimova, E, Egorova, O, Di Leo, R, Shakya, T, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-04-06
公開日2012-04-18
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4DBX
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BU of 4dbx by Molmil
Crystal structure of aminoglycoside phosphotransferase APH(2")-ID/APH(2")-IVA
分子名称: APH(2")-ID
著者Stogios, P.J, Minasov, G, Tan, K, Nocek, B, Singer, A.U, Evdokimova, E, Egorova, E, Di Leo, R, Li, H, Shakya, T, Wright, G.D, Savchenko, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2012-01-16
公開日2012-02-01
最終更新日2012-04-25
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献A small molecule discrimination map of the antibiotic resistance kinome.
Chem.Biol., 18, 2011
4DE4
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BU of 4de4 by Molmil
Crystal structure of aminoglycoside phosphotransferase APH(2")-Id/APH(2")-IVa in complex with HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, APH(2")-Id
著者Stogios, P.J, Minasov, G, Tan, K, Nocek, B, Evdokimova, E, Egorova, O, Di Leo, R, Li, H, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-01-19
公開日2012-02-08
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A small molecule discrimination map of the antibiotic resistance kinome.
Chem.Biol., 18, 2011
4FC9
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BU of 4fc9 by Molmil
Structure of the C-terminal domain of the type III effector Xcv3220 (XopL)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, uncharacterized protein
著者Singer, A.U, Xu, X, Cui, H, Tan, K, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-05-24
公開日2012-06-13
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the C-terminal domain of the type III effector Xcv3220 (XopL)
To be Published
3SP8
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BU of 3sp8 by Molmil
Crystal structure of NK2 in complex with fractionated Heparin DP10
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Recacha, R, Mulloy, B, Gherardi, E.
登録日2011-07-01
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of NK2 in complex with fractionated Heparin DP10
TO BE PUBLISHED
4OO2
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BU of 4oo2 by Molmil
Streptomyces globisporus C-1027 FAD dependent (S)-3-chloro-β-tyrosine-S-SgcC2 C-5 hydroxylase SgcC apo form
分子名称: CALCIUM ION, Chlorophenol-4-monooxygenase, GLYCEROL
著者Cao, H, Xu, W, Bingman, C.A, Lohman, J.R, Yennamalli, R, Shen, B, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2014-01-29
公開日2014-02-12
最終更新日2023-03-22
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus.
Biochemistry, 55, 2016
3VZQ
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BU of 3vzq by Molmil
Crystal structure of Q47L mutant of PhaB from Ralstonia eutropha
分子名称: Acetoacetyl-CoA reductase
著者Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M.
登録日2012-10-15
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Directed evolution and structural analysis of NADPH-dependent Acetoacetyl Coenzyme A (Acetoacetyl-CoA) reductase from Ralstonia eutropha reveals two mutations responsible for enhanced kinetics
Appl.Environ.Microbiol., 79, 2013
6NAU
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BU of 6nau by Molmil
1.55 Angstrom Resolution Crystal Structure of 6-phosphogluconolactonase from Klebsiella pneumoniae
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-phosphogluconolactonase, CHLORIDE ION
著者Minasov, G, Shuvalova, L, Pshenychnyi, S, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-06
公開日2018-12-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
3VZP
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BU of 3vzp by Molmil
Crystal structure of PhaB from Ralstonia eutropha
分子名称: 1,4-DIETHYLENE DIOXIDE, Acetoacetyl-CoA reductase, GLYCEROL, ...
著者Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M.
登録日2012-10-15
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Directed evolution and structural analysis of NADPH-dependent Acetoacetyl Coenzyme A (Acetoacetyl-CoA) reductase from Ralstonia eutropha reveals two mutations responsible for enhanced kinetics
Appl.Environ.Microbiol., 79, 2013
6NBG
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BU of 6nbg by Molmil
2.05 Angstrom Resolution Crystal Structure of Hypothetical Protein KP1_5497 from Klebsiella pneumoniae.
分子名称: CHLORIDE ION, Glucosamine-6-phosphate deaminase, PHOSPHATE ION
著者Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-07
公開日2018-12-19
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
3VZS
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BU of 3vzs by Molmil
Crystal structure of PhaB from Ralstonia eutropha in complex with Acetoacetyl-CoA and NADP
分子名称: ACETOACETYL-COENZYME A, Acetoacetyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M.
登録日2012-10-15
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Directed evolution and structural analysis of NADPH-dependent Acetoacetyl Coenzyme A (Acetoacetyl-CoA) reductase from Ralstonia eutropha reveals two mutations responsible for enhanced kinetics
Appl.Environ.Microbiol., 79, 2013
3VZR
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BU of 3vzr by Molmil
Crystal structure of T173S mutant of PhaB from Ralstonia eutropha
分子名称: Acetoacetyl-CoA reductase
著者Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M.
登録日2012-10-15
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Directed evolution and structural analysis of NADPH-dependent Acetoacetyl Coenzyme A (Acetoacetyl-CoA) reductase from Ralstonia eutropha reveals two mutations responsible for enhanced kinetics
Appl.Environ.Microbiol., 79, 2013
7V1W
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BU of 7v1w by Molmil
Difructose dianhydride I synthase/hydrolase (alphaFFase1) from Bifidobacterium dentium in complex with beta-D-arabinofuranose
分子名称: CALCIUM ION, Difructose dianhydride I synthase/hydrolase (alphaFFase1), beta-D-arabinofuranose
著者Kashima, T, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S.
登録日2021-08-06
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Identification of difructose dianhydride I synthase/hydrolase from an oral bacterium establishes a novel glycoside hydrolase family.
J.Biol.Chem., 297, 2021
7V1X
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BU of 7v1x by Molmil
Difructose dianhydride I synthase/hydrolase (alphaFFase1) from Bifidobacterium dentium in complex with beta-D-fructofuranose
分子名称: CALCIUM ION, Difructose dianhydride I synthase/hydrolase, beta-D-fructofuranose
著者Kashima, T, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S.
登録日2021-08-06
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Identification of difructose dianhydride I synthase/hydrolase from an oral bacterium establishes a novel glycoside hydrolase family.
J.Biol.Chem., 297, 2021
7V1V
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Difructose dianhydride I synthase/hydrolase (alphaFFase1) from Bifidobacterium dentium, ligand-free form
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, D(-)-TARTARIC ACID, ...
著者Kashima, T, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S.
登録日2021-08-06
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification of difructose dianhydride I synthase/hydrolase from an oral bacterium establishes a novel glycoside hydrolase family.
J.Biol.Chem., 297, 2021
3L2D
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BU of 3l2d by Molmil
Glycocyamine kinase, beta-beta homodimer from marine worm Namalycastis sp.
分子名称: Glycocyamine kinase beta chain
著者Lim, K, Pullalarevu, S, Herzberg, O.
登録日2009-12-15
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the mechanism and substrate specificity of glycocyamine kinase, a phosphagen kinase family member.
Biochemistry, 49, 2010

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