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1FTD
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BU of 1ftd by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIMIDAZOLE COMPLEX
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, [3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE
著者Mann, J, Baron, A, Opoku-Boahen, Y, Johansson, E, Parkinson, G, Kelland, L.R, Neidle, S.
登録日2000-09-12
公開日2001-02-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A new class of symmetric bisbenzimidazole-based DNA minor groove-binding agents showing antitumor activity.
J.Med.Chem., 44, 2001
2GTJ
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BU of 2gtj by Molmil
Reduced form of ADAP hSH3-N-domain
分子名称: FYN-binding protein
著者Zimmermann, J, Kuehne, R, Freund, C.
登録日2006-04-28
公開日2007-06-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Redox-Regulated Conformational Changes in an SH3 Domain
Biochemistry, 46, 2007
1XGA
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BU of 1xga by Molmil
ALPHA CONOTOXIN GI: 2-7;3-13 (NATIVE) DISULFIDE BOND ISOMER, NMR, 35 STRUCTURES
分子名称: ALPHA-CONOTOXIN GI
著者Gehrmann, J, Alewood, P.F, Craik, D.J.
登録日1998-01-18
公開日1999-02-16
最終更新日2024-06-05
実験手法SOLUTION NMR
主引用文献Structure determination of the three disulfide bond isomers of alpha-conotoxin GI: a model for the role of disulfide bonds in structural stability.
J.Mol.Biol., 278, 1998
1XGB
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BU of 1xgb by Molmil
ALPHA CONOTOXIN GI: 2-13;3-7 DISULFIDE BOND ISOMER NMR, 24 STRUCTURES
分子名称: ALPHA-CONOTOXIN GI
著者Gehrmann, J, Alewood, P.F, Craik, D.J.
登録日1998-01-18
公開日1999-02-16
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure determination of the three disulfide bond isomers of alpha-conotoxin GI: a model for the role of disulfide bonds in structural stability.
J.Mol.Biol., 278, 1998
1XGC
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BU of 1xgc by Molmil
ALPHA CONOTOXIN GI: 2-3;7-13 DISULFIDE BOND ISOMER, NMR, 25 STRUCTURES
分子名称: ALPHA-CONOTOXIN GI
著者Gehrmann, J, Alewood, P.F, Craik, D.J.
登録日1998-01-18
公開日1999-02-02
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure determination of the three disulfide bond isomers of alpha-conotoxin GI: a model for the role of disulfide bonds in structural stability.
J.Mol.Biol., 278, 1998
5CB6
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BU of 5cb6 by Molmil
Structure of adenosine-5'-phosphosulfate kinase
分子名称: ADENOSINE-5'-PHOSPHOSULFATE, CACODYLATE ION, MAGNESIUM ION, ...
著者Herrmann, J, Jez, J.M.
登録日2015-06-30
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Recapitulating the Structural Evolution of Redox Regulation in Adenosine 5'-Phosphosulfate Kinase from Cyanobacteria to Plants.
J.Biol.Chem., 290, 2015
5CB8
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BU of 5cb8 by Molmil
Crystal structure of Adenosine-5'-phosphosulfate kinase in complex with APS and sulfate
分子名称: ACETATE ION, ADENOSINE-5'-PHOSPHOSULFATE, Probable adenylyl-sulfate kinase, ...
著者Herrmann, J, Jez, J.M.
登録日2015-06-30
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Recapitulating the Structural Evolution of Redox Regulation in Adenosine 5'-Phosphosulfate Kinase from Cyanobacteria to Plants.
J.Biol.Chem., 290, 2015
1CNL
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BU of 1cnl by Molmil
ALPHA-CONOTOXIN IMI
分子名称: PROTEIN (ALPHA-CONOTOXIN IMI)
著者Gehrmann, J, Daly, N.L, Craik, D.J.
登録日1999-05-20
公開日1999-05-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of alpha-conotoxin ImI by 1H nuclear magnetic resonance.
J.Med.Chem., 42, 1999
6Y1C
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BU of 6y1c by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
登録日2020-02-11
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
6Y0Z
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BU of 6y0z by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126K
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
登録日2020-02-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
6Y10
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BU of 6y10 by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126H
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, R-specific alcohol dehydrogenase
著者Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
登録日2020-02-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
5IJQ
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BU of 5ijq by Molmil
Crystal structure of autotaxin (ENPP2) re-refined
分子名称: 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Hausmann, J, Joosten, R.P, Perrakis, A.
登録日2016-03-02
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin.
J.Struct.Biol., 195, 2016
5IJS
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BU of 5ijs by Molmil
Crystal structure of autotaxin with orthovanadate bound as a trigonal bipyramidal intermediate analog
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ...
著者Hausmann, J, Joosten, R.P, Perrakis, A.
登録日2016-03-02
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin.
J.Struct.Biol., 195, 2016
6H1M
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BU of 6h1m by Molmil
Neutron structure of Lactobacillus brevis alcohol dehydrogenase
分子名称: MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase
著者Hermann, J, Nowotny, P, Schrader, T.E, Biggel, P, Hekmat, D, Weuster-Botz, D.
登録日2018-07-12
公開日2018-12-12
最終更新日2024-01-24
実験手法NEUTRON DIFFRACTION (2.15 Å)
主引用文献Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6H07
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BU of 6h07 by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase
分子名称: MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase
著者Hermann, J, Nowotny, P, Biggel, P, Schneider, S, Hekmat, D, Weuster-Botz, D.
登録日2018-07-06
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways.
Acta Crystallogr F Struct Biol Commun, 74, 2018
4KK3
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BU of 4kk3 by Molmil
YwlE arginine phosphatase - wildtype
分子名称: Low molecular weight protein-tyrosine-phosphatase YwlE, PHOSPHATE ION
著者Fuhrmann, J, Clausen, T.
登録日2013-05-05
公開日2013-07-03
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for recognizing phosphoarginine and evolving residue-specific protein phosphatases in gram-positive bacteria.
Cell Rep, 3, 2013
4KK4
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BU of 4kk4 by Molmil
YwlE arginine phosphatase - C7S mutant with phosphorylated active site serine
分子名称: Low molecular weight protein-tyrosine-phosphatase YwlE
著者Fuhrmann, J, Clausen, T.
登録日2013-05-05
公開日2013-07-03
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for recognizing phosphoarginine and evolving residue-specific protein phosphatases in gram-positive bacteria.
Cell Rep, 3, 2013
4MAF
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BU of 4maf by Molmil
Soybean ATP Sulfurylase
分子名称: ADENOSINE-5'-PHOSPHOSULFATE, ATP sulfurylase
著者Herrmann, J, Ravilious, G.E, McKinney, S.E, Westfall, C.S, Lee, S.G, Krishnan, H.B, Jez, J.M.
登録日2013-08-16
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure and mechanism of soybean ATP sulfurylase and the committed step in plant sulfur assimilation.
J.Biol.Chem., 289, 2014
8BRT
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BU of 8brt by Molmil
Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BRS
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BU of 8brs by Molmil
Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact.
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BRQ
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BU of 8brq by Molmil
Crystal structure of a surface entropy reduction variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BRR
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BU of 8brr by Molmil
Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
6V9S
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BU of 6v9s by Molmil
Structure-based development of subtype-selective orexin 1 receptor antagonists
分子名称: CHOLESTEROL, OLEIC ACID, Orexin receptor type 1,GlgA glycogen synthase chimera, ...
著者Hellmann, J, Drabek, M, Yin, J, Huebner, H, Kraus, F, Proell, T, Weikert, D, Kolb, P, Rosenbaum, D.M, Gmeiner, P.
登録日2019-12-16
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure-based development of a subtype-selective orexin 1 receptor antagonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
2XRG
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BU of 2xrg by Molmil
Crystal structure of Autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor
分子名称: CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ...
著者Hausmann, J, Albers, H.M.H.G, Perrakis, A.
登録日2010-09-14
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Basis of Substrate Discrimination and Integrin Binding by Autotaxin.
Nat.Struct.Mol.Biol., 18, 2011
6FJ3
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BU of 6fj3 by Molmil
High resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist.
分子名称: ACETIC ACID, CHLORIDE ION, OLEIC ACID, ...
著者Ehrenmann, J, Schoppe, J, Klenk, C, Rappas, M, Kummer, L, Dore, A.S, Pluckthun, A.
登録日2018-01-19
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献High-resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist.
Nat. Struct. Mol. Biol., 25, 2018

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