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1MY3
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crystal structure of glutamate receptor ligand-binding core in complex with bromo-willardiine in the Zn crystal form
分子名称: 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION
著者Jin, R, Gouaux, E.
登録日2002-10-03
公開日2003-06-10
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
5FA1
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The structure of the beta-3-deoxy-D-manno-oct-2-ulosonic acid transferase domain of WbbB
分子名称: CYTIDINE-5'-MONOPHOSPHATE, Putative N-acetyl glucosaminyl transferase
著者Mallette, E, Ovchinnikova, O.G, Whitfield, C, Kimber, M.S.
登録日2015-12-10
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bacterial beta-Kdo glycosyltransferases represent a new glycosyltransferase family (GT99).
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5TDY
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Structure of cofolded FliFc:FliGn complex from Thermotoga maritima
分子名称: Flagellar M-ring protein, Flagellar motor switch protein FliG
著者Lynch, M.J, Levenson, R, Kim, E.A, Sircar, R, Blair, D.F, Dahlquist, F.W, Crane, B.R.
登録日2016-09-20
公開日2017-01-25
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Co-Folding of a FliF-FliG Split Domain Forms the Basis of the MS:C Ring Interface within the Bacterial Flagellar Motor.
Structure, 25, 2017
7M0S
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N-terminal domain of PmrA from Acinetobacter baumannii
分子名称: Two-component system response regulator PmrA
著者Palethorpe, S, Milton, M.E, Cavanagh, J.
登録日2021-03-11
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structure of the Acinetobacter baumannii PmrA receiver domain and insights into clinical mutants affecting DNA binding and promoting colistin resistance.
J.Biochem., 170, 2022
7LFS
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Crystal structure of the epidermal growth factor receptor extracellular region with A265V mutation in complex with epiregulin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 4 of Epidermal growth factor receptor, ...
著者Hu, C, Leche II, C.A, Stayrook, S.E, Ferguson, K.M, Lemmon, M.A.
登録日2021-01-18
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Glioblastoma mutations alter EGFR dimer structure to prevent ligand bias.
Nature, 602, 2022
7UPZ
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BU of 7upz by Molmil
Structural basis for cell type specific DNA binding of C/EBPbeta: the case of cell cycle inhibitor p15INK4b promoter
分子名称: CCAAT/enhancer-binding protein beta, DNA (5'-D(*AP*TP*TP*CP*TP*TP*AP*AP*GP*AP*AP*AP*GP*AP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*TP*CP*TP*TP*TP*CP*TP*TP*AP*AP*GP*AP*A)-3')
著者Lountos, G.T, Cherry, S, Tropea, J.E, Wlodawer, A, Miller, M.
登録日2022-04-18
公開日2022-11-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Structural basis for cell type specific DNA binding of C/EBP beta : The case of cell cycle inhibitor p15INK4b promoter.
J.Struct.Biol., 214, 2022
4L81
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Structure of the SAM-I/IV riboswitch (env87(deltaU92, deltaG93))
分子名称: COBALT HEXAMMINE(III), MAGNESIUM ION, S-ADENOSYLMETHIONINE, ...
著者Trausch, J.J, Reyes, F.E, Edwards, A.L, Batey, R.T.
登録日2013-06-15
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural basis for diversity in the SAM clan of riboswitches.
Proc.Natl.Acad.Sci.USA, 111, 2014
1D2D
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Hamster EprS second repeated element. NMR, 5 structures
分子名称: TRNA SYNTHETASE
著者Cahuzac, B, Berthonneau, E, Birlirakis, N, Guittet, E, Mirande, M.
登録日1999-09-23
公開日2000-05-24
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A recurrent RNA-binding domain is appended to eukaryotic aminoacyl-tRNA synthetases.
EMBO J., 19, 2000
5YIG
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Crystal structure of Streptococcus pneumonia ParE with inhibitor
分子名称: 1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea, DNA topoisomerase 4 subunit B
著者Cherian, J, Tan, Y, Hill, J.
登録日2017-10-04
公開日2018-09-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria.
Eur J Med Chem, 157, 2018
3M1N
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Crystal structure of Human Sonic Hedgehog N-terminal domain
分子名称: SULFATE ION, Sonic hedgehog protein, ZINC ION
著者Boriack-Sjodin, P.A, Pepinsky, R.B, Garber, E.A, Silvian, L.F.
登録日2010-03-05
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping sonic hedgehog-receptor interactions by steric interference.
J.Biol.Chem., 275, 2000
2Z81
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Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated lipopeptide
分子名称: (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 2, ...
著者Lee, J.O, Jin, M.S, Kim, S.E, Heo, J.Y.
登録日2007-08-30
公開日2007-10-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the TLR1-TLR2 Heterodimer Induced by Binding of a Tri-Acylated Lipopeptide
Cell(Cambridge,Mass.), 130, 2007
1XLV
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Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction With Echothiophate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O.
登録日2004-09-30
公開日2005-02-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.247 Å)
主引用文献Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging
Biochemistry, 44, 2005
1C52
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BU of 1c52 by Molmil
THERMUS THERMOPHILUS CYTOCHROME-C552: A NEW HIGHLY THERMOSTABLE CYTOCHROME-C STRUCTURE OBTAINED BY MAD PHASING
分子名称: CYTOCHROME-C552, PROTOPORPHYRIN IX CONTAINING FE
著者Than, M.E, Hof, P, Huber, R, Bourenkov, G.P, Bartunik, H.D, Buse, G, Soulimane, T.
登録日1997-06-23
公開日1998-06-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Thermus thermophilus cytochrome-c552: A new highly thermostable cytochrome-c structure obtained by MAD phasing.
J.Mol.Biol., 271, 1997
6AVP
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BU of 6avp by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Phosphate-MeO-N5Pan
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide, ...
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-04
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
7LRZ
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Structure of the Human ALK GRD
分子名称: ALK tyrosine kinase receptor
著者Stayrook, S, Li, T, Klein, D.E.
登録日2021-02-17
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
6AWG
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Staphylococcus aureus Type II pantothenate kinase in complex with nucleotides and pantothenate analog Deoxy-N190Pan
分子名称: (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AX9
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F95N Epi-isozizaene synthase
分子名称: Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
著者Blank, P.N, Barrow, G.H, Christianson, D.W.
登録日2017-09-06
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes.
Biochemistry, 56, 2017
7UJX
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Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wych, D.C, Aoto, P.C, Wall, M.E.
登録日2022-03-31
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
1YF6
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Structure of a quintuple mutant of photosynthetic reaction center from rhodobacter sphaeroides
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
著者Paddock, M.L, Chang, C, Xu, Q, Abresch, E.C, Axelrod, H.L.
登録日2004-12-30
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Quinone (Q(B)) Reduction by B-Branch Electron Transfer in Mutant Bacterial Reaction Centers from Rhodobacter sphaeroides: Quantum Efficiency and X-ray Structure.
Biochemistry, 44, 2005
4KWU
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1.9 Angstrom resolution crystal structure of uncharacterized protein lmo2446 from Listeria monocytogenes EGD-e in complex with alpha-D-glucose, beta-D-glucose, magnesium and calcium
分子名称: CALCIUM ION, Lmo2446 protein, MAGNESIUM ION, ...
著者Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-05-24
公開日2013-06-19
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9 Angstrom resolution crystal structure of uncharacterized protein lmo2446 from Listeria monocytogenes EGD-e in complex with alpha-D-glucose, beta-D-glucose, magnesium and calcium
To be Published
4BX9
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Human Vps33A in complex with a fragment of human Vps16
分子名称: (2S)-2-hydroxybutanedioic acid, FORMIC ACID, MALONIC ACID, ...
著者Graham, S.C, Wartosch, L, Gray, S.R, Scourfield, E.J, Deane, J.E, Luzio, J.P, Owen, D.J.
登録日2013-07-09
公開日2013-07-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of Vps33A recruitment to the human HOPS complex by Vps16.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
1T7D
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BU of 1t7d by Molmil
Crystal structure of Escherichia coli type I signal peptidase in complex with a lipopeptide inhibitor
分子名称: 10-METHYLUNDECANOIC ACID, ARYLOMYCIN A2, SIGNAL PEPTIDASE I
著者Paetzel, M, Goodall, J.J, Kania, M, Dalbey, R.E, Page, M.G.P.
登録日2004-05-09
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystallographic and Biophysical Analysis of a Bacterial Signal Peptidase in Complex with a Lipopeptide Based Inhibitor.
J.Biol.Chem., 279, 2004
4PN3
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Crystal structure of 3-hydroxyacyl-CoA-dehydrogenase from Brucella melitensis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyacyl-CoA dehydrogenase
著者Lukacs, C.M, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-05-22
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of 3-hydroxyacyl-CoA-dehydrogenase from Brucella melitensis
To Be Published
7V0G
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Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wych, D.C, Aoto, P.C, Wall, M.E.
登録日2022-05-10
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
5QFE
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000509a
分子名称: (2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.563 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018

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