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2OXP
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BU of 2oxp by Molmil
Crystal Structure of Staphylococcal Nuclease mutant V66D/P117G/H124L/S128A
分子名称: THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Garcia-Moreno, E.B, Gittis, A.G, Karp, D.A.
登録日2007-02-20
公開日2007-03-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High apparent dielectric constant inside a protein reflects structural reorganization coupled to the ionization of an internal asp
Biophys.J., 92, 2007
2OZE
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BU of 2oze by Molmil
The Crystal structure of Delta protein of pSM19035 from Streptoccocus pyogenes
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Orf delta', ...
著者Cicek, A, Weihofen, W, Saenger, W.
登録日2007-02-26
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Streptococcus pyogenes pSM19035 requires dynamic assembly of ATP-bound ParA and ParB on parS DNA during plasmid segregation.
Nucleic Acids Res., 36, 2008
6Z0P
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BU of 6z0p by Molmil
BceF Tyrosine Kinase Domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, BceF
著者Landau, M, Mayer, M, Abd Alhadi, M, Dvir, H.
登録日2020-05-10
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Functional Insights into the Biofilm-Associated BceF Tyrosine Kinase Domain from Burkholderia cepacia .
Biomolecules, 11, 2021
6Q8G
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BU of 6q8g by Molmil
Structure of Fucosylated D-antimicrobial peptide SB8 in complex with the Fucose-binding lectin PA-IIL at 1.190 Angstrom resolution
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ...
著者Baeriswyl, S, Stocker, A, Reymond, J.-L.
登録日2018-12-14
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
6QKI
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BU of 6qki by Molmil
Native structure of EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase
分子名称: FE (III) ION, Uncharacterized protein
著者Stampfli, A.R, Badri, B.N, Schirmer, T, Seebeck, F.P.
登録日2019-01-29
公開日2019-03-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献An Alternative Active Site Architecture for O2Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum.
J.Am.Chem.Soc., 141, 2019
6Z15
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BU of 6z15 by Molmil
Human wtSTING in complex with 3',3'-c-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-05-12
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
2P16
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BU of 2p16 by Molmil
Factor Xa in Complex with the Inhibitor APIXABAN (BMS-562247) AKA 1-(4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3, 4-C]PYRIDINE-3-CARBOXAMIDE
分子名称: 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, CALCIUM ION, Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor)
著者Alexander, R.
登録日2007-03-02
公開日2007-10-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-c]pyridine-3-carboxamide (Apixaban, BMS-562247), a Highly Potent, Selective, Efficacious, and Orally Bioavailable Inhibitor of Blood Coagulation Factor Xa.
J.Med.Chem., 50, 2007
2P4M
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BU of 2p4m by Molmil
High pH structure of Rtms5 H146S variant
分子名称: GFP-like non-fluorescent chromoprotein, IODIDE ION
著者Battad, J.M, Wilmann, P.G, Olsen, S, Byres, E, Smith, S.C, Dove, S.G, Turcic, K.N, Devenish, R.J, Rossjohn, J, Prescott, M.
登録日2007-03-12
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural basis for the pH-dependent increase in fluorescence efficiency of chromoproteins
J.Mol.Biol., 368, 2007
6ZHV
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BU of 6zhv by Molmil
Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic
分子名称: 2-[2-(2-octoxyethoxy)ethoxy]ethanol, MAGNESIUM ION, Outer membrane porin F, ...
著者Sousa, C.F, Morais-Cabral, J, Gameiro, P.
登録日2020-06-23
公開日2021-05-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic
To Be Published
2P7V
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BU of 2p7v by Molmil
Crystal structure of the Escherichia coli regulator of sigma 70, Rsd, in complex with sigma 70 domain 4
分子名称: MAGNESIUM ION, RNA polymerase sigma factor rpoD, Regulator of sigma D
著者Patikoglou, G.A, Westblade, L.F, Campbell, E.A, Lamour, V, Lane, W.J, Darst, S.A.
登録日2007-03-20
公開日2007-08-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the Escherichia coli regulator of sigma70, Rsd, in complex with sigma70 domain 4.
J.Mol.Biol., 372, 2007
6YYK
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BU of 6yyk by Molmil
Crystal Structure of 1,5-dimethylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
分子名称: 1,5-dimethyl-3~{H}-indol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Optimising crystallographic systems for structure-guided drug discovery
To Be Published
2P9S
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BU of 2p9s by Molmil
Structure of bovine Arp2/3 complex co-crystallized with ATP/Mg2+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-like protein 2, Actin-like protein 3, ...
著者Nolen, B.J, Pollard, T.D.
登録日2007-03-26
公開日2007-05-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Insights into the Influence of Nucleotides on Actin Family Proteins from Seven Structures of Arp2/3 Complex.
Mol.Cell, 26, 2007
6YYF
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BU of 6yyf by Molmil
Crystal Structure of 5-chloroindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
分子名称: 5-chloranyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Optimising crystallographic systems for structure-guided drug discovery
To Be Published
2P7T
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BU of 2p7t by Molmil
Crystal Structure of KcsA mutant
分子名称: (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, FAB-A, FAB-B, ...
著者Cordero-Morales, J.F, Vishwanath, J, Lewis, A, Valeria, V.R, Cortes, D.M, Roux, B, Perozo, E.
登録日2007-03-20
公開日2007-10-09
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of KcsA mutant
To be Published
2PD7
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BU of 2pd7 by Molmil
2.0 Angstrom Crystal Structure of the Fungal Blue-Light Photoreceptor Vivid
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Vivid PAS protein VVD
著者Zoltowski, B.D, Crane, B.R, Bilwes, A.M.
登録日2007-03-31
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational switching in the fungal light sensor Vivid
Science, 316, 2007
2P8O
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BU of 2p8o by Molmil
Crystal Structure of a Benzohydroxamic Acid/Vanadate complex bound to chymotrypsin A
分子名称: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
著者Moulin, A, Bell, J.H, Pratt, R.F, Ringe, D.
登録日2007-03-22
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibition of chymotrypsin by a complex of ortho-vanadate and benzohydroxamic Acid: structure of the inert complex and its mechanistic interpretation.
Biochemistry, 46, 2007
6YYG
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BU of 6yyg by Molmil
Crystal Structure of 5-(trifluoromethoxy)indoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
分子名称: 5-(trifluoromethyloxy)-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Optimising crystallographic systems for structure-guided drug discovery
To Be Published
2PEE
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BU of 2pee by Molmil
Crystal Structure of a Thermophilic Serpin, Tengpin, in the Native State
分子名称: GLYCEROL, SULFATE ION, Serine protease inhibitor
著者Zhang, Q.W, Buckle, A.M, Whisstock, J.C.
登録日2007-04-02
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The N terminus of the serpin, tengpin, functions to trap the metastable native state.
Embo Rep., 8, 2007
7RT9
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BU of 7rt9 by Molmil
Crystal structures of human PYY and NPY
分子名称: 4A3B2-A Fab heavy chain, 4A3B2-A Fab light chain, GLYCEROL, ...
著者Langley, D.B, Christ, D.
登録日2021-08-12
公開日2022-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of human neuropeptide Y (NPY) and peptide YY (PYY).
Neuropeptides, 92, 2022
6YWB
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BU of 6ywb by Molmil
Human wtSTING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
分子名称: 3',3'-c-[2'FdAMP-2'FdAM(PS)], Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-04-29
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Human wtSTING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
To Be Published
6JND
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BU of 6jnd by Molmil
Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase
著者Oide, M, Kato, T, Oroguchi, T, Nakasako, M.
登録日2019-03-14
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy.
Febs J., 287, 2020
2OSN
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BU of 2osn by Molmil
An alternate description of a crystal structure of phospholipase A2 from Bungarus caeruleus
分子名称: CHLORIDE ION, Phospholipase A2 isoform 3
著者Stenkamp, R.E, Le Trong, I.
登録日2007-02-06
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An alternate description of two crystal structures of phospholipase A(2) from Bungarus caeruleus.
Acta Crystallogr.,Sect.D, 63, 2007
6YZH
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BU of 6yzh by Molmil
Crystal structure of P8C9 bound to CK2alpha
分子名称: ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, GLYCEROL, ...
著者Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
登録日2020-05-07
公開日2021-05-19
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
6Q6M
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BU of 6q6m by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
著者Kallen, J.
登録日2018-12-11
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6QKJ
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BU of 6qkj by Molmil
EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase in complex with N,N,N-trimethyl-histidine
分子名称: CHLORIDE ION, FE (III) ION, IMIDAZOLE, ...
著者Stampfli, A.R, Badri, B.N, Schirmer, T, Seebeck, F.P.
登録日2019-01-29
公開日2019-03-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An Alternative Active Site Architecture for O2Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum.
J.Am.Chem.Soc., 141, 2019

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