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4DD0
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BU of 4dd0 by Molmil
EVAL processed HEWL, cisplatin aqueous glycerol
分子名称: GLYCEROL, Lysozyme C
著者Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
登録日2012-01-18
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
4DD2
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BU of 4dd2 by Molmil
EVAL processed HEWL, carboplatin aqueous glycerol
分子名称: GLYCEROL, Lysozyme C
著者Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
登録日2012-01-18
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
4DDC
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BU of 4ddc by Molmil
EVAL processed HEWL, cisplatin DMSO NAG silicone oil
分子名称: Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C
著者Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
登録日2012-01-18
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
6S0V
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BU of 6s0v by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, neamine and sulfate
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Kanamycin B dioxygenase, NICKEL (II) ION, ...
著者Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
4DDB
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BU of 4ddb by Molmil
EVAL processed HEWL, cisplatin DMSO paratone pH 6.5
分子名称: Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C
著者Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
登録日2012-01-18
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
6S0U
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BU of 6s0u by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6S0S
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BU of 6s0s by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, ribostamycin B and 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, Kanamycin B dioxygenase, ...
著者Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6S0R
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BU of 6s0r by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus complex with nickel, sulfate and chloride
分子名称: CHLORIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
著者Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6S0W
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BU of 6s0w by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and kanamycin B sulfate
分子名称: (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, Kanamycin B dioxygenase, ...
著者Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
4DDA
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BU of 4dda by Molmil
EVAL processed HEWL, NAG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme C
著者Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
登録日2012-01-18
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
4DD1
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BU of 4dd1 by Molmil
EVAL processed HEWL, cisplatin aqueous paratone
分子名称: 2-methylprop-1-ene, Lysozyme C
著者Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
登録日2012-01-18
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
6S0T
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BU of 6s0t by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide
分子名称: IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
著者Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
7SWO
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BU of 7swo by Molmil
C98C7 Fab in complex with SARS-CoV-2 Spike 6P (RBD local reconstruction)
分子名称: C98C7 Fab heavy chain, C98C7 Fab light chain, Spike protein S1
著者Windsor, I.W, Tong, P, Wesemann, D.R, Harrison, S.C.
登録日2021-11-20
公開日2022-04-27
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1.
Sci Immunol, 7, 2022
7SWP
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BU of 7swp by Molmil
G32Q4 Fab in complex with SARS-CoV-2 Spike 6P (RBD local reconstruction)
分子名称: G32Q4 Fab heavy chain, G32Q4 Fab light chain, Spike protein S1
著者Windsor, I.W, Tong, P, Wesemann, D.R, Harrison, S.C.
登録日2021-11-20
公開日2022-04-27
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1.
Sci Immunol, 7, 2022
7SWN
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BU of 7swn by Molmil
G32A4 Fab in complex with SARS-CoV-2 Spike 6P (RBD local reconstruction)
分子名称: G32A4 Fab heavy chain, G32A4 Fab light chain, Spike protein S1
著者Windsor, I.W, Tong, P, Wesemann, D.R, Harrison, S.C.
登録日2021-11-20
公開日2022-04-27
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1.
Sci Immunol, 7, 2022
5FVE
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BU of 5fve by Molmil
Crystal Structure of Helicobacter pylori beta clamp in complex with 3, 4-Difluorobenzamide
分子名称: 3,4-difluorobenzamide, DNA POLYMERASE III SUBUNIT BETA
著者Pandey, P, Gourinath, S.
登録日2016-02-05
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization.
Antibiotics (Basel), 7, 2018
3ZH3
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BU of 3zh3 by Molmil
crystal structure of S. pneumoniae D39 native MurA1
分子名称: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
著者Gutierrez-Fernandez, J, Hermoso, J.A.
登録日2012-12-20
公開日2013-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Heteroresistance to Fosfomycin is Predominant in Streptococcus Pneumoniae and Depends on Mura1 Gene.
Antimicrob.Agents Chemother., 57, 2013
7ADV
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BU of 7adv by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ447 (compound 6v)
分子名称: 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
著者Pye, V.E, Cherepanov, P.
登録日2020-09-16
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献HIV-1 Integrase Inhibitors with Modifications That Affect Their Potencies against Drug Resistant Integrase Mutants.
Acs Infect Dis., 7, 2021
7ADU
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BU of 7adu by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ440 (compound 5j)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
著者Pye, V.E, Cherepanov, P.
登録日2020-09-16
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献HIV-1 Integrase Inhibitors with Modifications That Affect Their Potencies against Drug Resistant Integrase Mutants.
Acs Infect Dis., 7, 2021
2H2Q
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BU of 2h2q by Molmil
Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate synthase
分子名称: 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Senkovich, O, Schormann, N, Chattopadhyay, D.
登録日2006-05-19
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008
3ZH4
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BU of 3zh4 by Molmil
crystal structure of S. pneumoniae Hungary 19A MurA1 in complex with citrate
分子名称: CITRATE ANION, DI(HYDROXYETHYL)ETHER, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
著者Gutierrez-Fernandez, J, Hermoso, J.A.
登録日2012-12-20
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Heteroresistance to Fosfomycin is Predominant in Streptococcus Pneumoniae and Depends on Mura1 Gene.
Antimicrob.Agents Chemother., 57, 2013
5G4Q
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BU of 5g4q by Molmil
H.pylori Beta clamp in complex with 5-chloroisatin
分子名称: 5-chloro-1H-indole-2,3-dione, DNA POLYMERASE III SUBUNIT BETA
著者Pandey, P, Gourinath, S.
登録日2016-05-16
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization.
Antibiotics (Basel), 7, 2018
4BGC
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BU of 4bgc by Molmil
T1 domain of the renal potassium channel Kv1.3
分子名称: POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY A MEMBER 3
著者Weyand, M, Kremer, W, Kalbitzer, H.R.
登録日2013-03-25
公開日2013-10-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献1.2 A X-Ray Structure of the Renal Potassium Channel Kv1.3 T1 Domain.
Protein J., 32, 2013
1J73
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BU of 1j73 by Molmil
Crystal structure of an unstable insulin analog with native activity.
分子名称: ZINC ION, insulin a, insulin b
著者Wan, Z, Zhao, M, Nakagawa, S, Jia, W, Weiss, M.A.
登録日2001-05-15
公開日2001-05-30
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
1IJH
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BU of 1ijh by Molmil
CHOLESTEROL OXIDASE FROM STREPTOMYCES ASN485LEU MUTANT
分子名称: CHOLESTEROL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE
著者Vrielink, A, Lario, P.I.
登録日2001-04-26
公開日2001-12-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The presence of a hydrogen bond between asparagine 485 and the pi system of FAD modulates the redox potential in the reaction catalyzed by cholesterol oxidase.
Biochemistry, 40, 2001

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