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6EB0
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STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI
分子名称: 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, ACETATE ION
著者Zhou, D, Kandavelu, P, Zhang, H, Wang, B.C, Yan, Y, Rose, J.
登録日2018-08-03
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019
6ERO
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Structure of human TFB2M
分子名称: CHLORIDE ION, Dimethyladenosine transferase 2, mitochondrial,Dimethyladenosine transferase 2, ...
著者Hillen, H.S, Morozov, Y.I, Sarfallah, A, Temiakov, D, Cramer, P.
登録日2017-10-18
公開日2017-11-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of Mitochondrial Transcription Initiation.
Cell, 171, 2017
2GMT
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BU of 2gmt by Molmil
THREE-DIMENSIONAL STRUCTURE OF CHYMOTRYPSIN INACTIVATED WITH (2S) N-ACETYL-L-ALANYL-L-PHENYLALANYL-CHLOROETHYL KETONE: IMPLICATIONS FOR THE MECHANISM OF INACTIVATION OF SERINE PROTEASES BY CHLOROKETONES
分子名称: (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE, GAMMA-CHYMOTRYPSIN
著者Kreutter, K, Steinmetz, A.C.U, Liang, T.-C, Prorok, M, Abeles, R, Ringe, D.
登録日1994-09-07
公開日1994-11-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure of chymotrypsin inactivated with (2S)-N-acetyl-L-alanyl-L-phenylalanyl alpha-chloroethane: implications for the mechanism of inactivation of serine proteases by chloroketones.
Biochemistry, 33, 1994
6EBK
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The voltage-activated Kv1.2-2.1 paddle chimera channel in lipid nanodiscs
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily B member 2 chimera, Voltage-gated potassium channel subunit beta-2
著者Matthies, D, Bae, C, Fox, T, Bartesaghi, A, Subramaniam, S, Swartz, K.J.
登録日2018-08-06
公開日2018-08-22
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Single-particle cryo-EM structure of a voltage-activated potassium channel in lipid nanodiscs.
Elife, 7, 2018
6EG8
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BU of 6eg8 by Molmil
Structure of the GDP-bound Gs heterotrimer
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Hilger, D, Liu, X, Aschauer, P, Kobilka, B.K.
登録日2018-08-19
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insights into the Process of GPCR-G Protein Complex Formation.
Cell, 177, 2019
6EOA
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BU of 6eoa by Molmil
Crystal Structure of HAL3 from Cryptococcus neoformans
分子名称: FLAVIN MONONUCLEOTIDE, Phosphopantothenoylcysteine decarboxylase
著者Reverter, D, Zhang, C, Molero, C, Arino, J.
登録日2017-10-09
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Characterization of the atypical Ppz/Hal3 phosphatase system from the pathogenic fungus Cryptococcus neoformans.
Mol.Microbiol., 111, 2019
2HI8
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BU of 2hi8 by Molmil
human formylglycine generating enzyme, C336S mutant, bromide co-crystallization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, CALCIUM ION, ...
著者Rudolph, M.G, Roeser, D.
登録日2006-06-29
公開日2007-05-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Probing the oxygen-binding site of the human formylglycine-generating enzyme using halide ions.
Acta Crystallogr.,Sect.D, 63, 2007
2HKR
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BU of 2hkr by Molmil
Structures of the carbinolamine and schiff-base intermediates in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with p-methoxyphenylethylamine
分子名称: 2-(4-METHOXYPHENYL)ACETAMIDE, 2-(4-METHOXYPHENYL)ETHANAMINE, Aromatic amine dehydrogenase, ...
著者Roujeinikova, A, Leys, D.
登録日2006-07-05
公開日2008-04-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase
To be Published
2HFV
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BU of 2hfv by Molmil
Solution NMR Structure of Protein RPA1041 from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT90.
分子名称: Hypothetical Protein RPA1041
著者Eletsky, A, Atreya, H.S, Liu, G, Sukumaran, D, Garcia, M, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-26
公開日2006-07-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of Pseudomonas aeruginosa Hypothetical Protein RPA1041
TO BE PUBLISHED
4CZA
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BU of 4cza by Molmil
Structure of the sodium proton antiporter PaNhaP from Pyrococcus abyssii with bound thallium ion.
分子名称: ACETATE ION, NA+/H+ ANTIPORTER, PUTATIVE, ...
著者Woehlert, D, Kuhlbrandt, W, Yildiz, O.
登録日2014-04-16
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure and substrate ion binding in the sodium/proton antiporter PaNhaP.
Elife, 3, 2014
2HIQ
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BU of 2hiq by Molmil
Crystal structure of JW1657 from Escherichia coli
分子名称: Hypothetical protein ydhR
著者Chen, L.Q, Chen, L.R, Liu, Z.-J, Temple, W, Lee, D, Chang, S.-H, Rose, J.P, Ebihara, A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2006-06-29
公開日2006-09-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of JW1657 from Escherichia coli at 2.0A resolution
To be Published
2HJ3
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BU of 2hj3 by Molmil
Structure of the Arabidopsis Thaliana Erv1 Thiol Oxidase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Sulfhydryl oxidase Erv1p
著者Vitu, E, Fass, D.
登録日2006-06-30
公開日2006-08-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Gain of Function in an ERV/ALR Sulfhydryl Oxidase by Molecular Engineering of the Shuttle Disulfide.
J.Mol.Biol., 362, 2006
2HIB
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BU of 2hib by Molmil
human formylglycine generating enzyme, C336S mutant, iodide co-crystallization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ...
著者Rudolph, M.G, Roeser, D.
登録日2006-06-29
公開日2007-05-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the oxygen-binding site of the human formylglycine-generating enzyme using halide ions.
Acta Crystallogr.,Sect.D, 63, 2007
6ELN
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BU of 6eln by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
分子名称: 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha, SULFATE ION
著者Musil, D, Lehmann, M, Eggenweiler, H.-M.
登録日2017-09-29
公開日2018-05-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
6EHX
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BU of 6ehx by Molmil
scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery
分子名称: scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery
著者Hargreaves, D.
登録日2017-09-15
公開日2017-11-08
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery
To Be Published
2HOR
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BU of 2hor by Molmil
Crystal structure of alliinase from garlic- apo form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Alliin lyase 1, ...
著者Shimon, L.J.W, Rabinkov, A, Wilcheck, M, Mirelman, D, Frolow, F.
登録日2006-07-16
公開日2007-02-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Two Structures of Alliinase from Alliium sativum L.: Apo Form and Ternary Complex with Aminoacrylate Reaction Intermediate Covalently Bound to the PLP Cofactor.
J.Mol.Biol., 366, 2007
6ELO
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BU of 6elo by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
分子名称: 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Musil, D, Lehmann, M, Eggenweiler, H.-M.
登録日2017-09-29
公開日2018-05-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
6EQI
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BU of 6eqi by Molmil
Structure of PINK1 bound to ubiquitin
分子名称: GLYCEROL, Nb696, Serine/threonine-protein kinase PINK1, ...
著者Schubert, A.F, Gladkova, C, Pardon, E, Wagstaff, J.L, Freund, S.M.V, Steyaert, J, Maslen, S, Komander, D.
登録日2017-10-13
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of PINK1 in complex with its substrate ubiquitin.
Nature, 552, 2017
4D8A
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BU of 4d8a by Molmil
Crystal structure of B. anthracis DHPS with compound 21
分子名称: Dihydropteroate synthase, LYSINE, SULFATE ION, ...
著者Hammoudeh, D, Lee, R.E, White, S.W.
登録日2012-01-10
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.183 Å)
主引用文献Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
2HTO
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BU of 2hto by Molmil
Ruthenium hexammine ion interactions with Z-DNA
分子名称: DNA (5'-D(*DCP*DGP*DCP*DGP*DCP*DA)-3'), DNA (5'-D(*DTP*DGP*DCP*DGP*DCP*DG)-3'), RUTHENIUM (III) HEXAAMINE ION
著者Bharanidharan, D, Thiyagarajan, S, Gautham, N.
登録日2006-07-26
公開日2006-08-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Hexammineruthenium(III) ion interactions with Z-DNA
Acta Crystallogr.,Sect.F, 63, 2007
6EPF
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Ground state 26S proteasome (GS1)
分子名称: 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, 26S proteasome non-ATPase regulatory subunit 13, ...
著者Guo, Q, Lehmer, C, Martinez-Sanchez, A, Rudack, T, Beck, F, Hartmann, H, Hipp, M.S, Hartl, F.U, Edbauer, D, Baumeister, W, Fernandez-Busnadiego, R.
登録日2017-10-11
公開日2018-02-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (11.8 Å)
主引用文献In Situ Structure of Neuronal C9orf72 Poly-GA Aggregates Reveals Proteasome Recruitment.
Cell, 172, 2018
6E9D
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BU of 6e9d by Molmil
Sub-2 Angstrom Ewald Curvature-Corrected Single-Particle Cryo-EM Reconstruction of AAV-2 L336C
分子名称: Capsid protein VP1
著者Tan, Y.Z, Aiyer, S, Mietzsch, M, Hull, J.A, McKenna, R, Baker, T.S, Agbandje-McKenna, M, Lyumkis, D.
登録日2018-07-31
公開日2018-08-15
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (1.86 Å)
主引用文献Sub-2 angstrom Ewald curvature corrected structure of an AAV2 capsid variant.
Nat Commun, 9, 2018
6E9X
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DHF91 filament
分子名称: DHF91 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6EOF
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BU of 6eof by Molmil
Crystal structure of AMPylated GRP78 in ADP state
分子名称: 78 kDa glucose-regulated protein, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Yan, Y, Preissler, S, Read, R.J, Ron, D.
登録日2017-10-09
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
2IUP
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BU of 2iup by Molmil
CRYSTAL STRUCTURE OF DITHIONITE-REDUCED AROMATIC AMINE DEHYDROGENASE (AADH) FROM ALCALIGENES FAECALIS
分子名称: AROMATIC AMINE DEHYDROGENASE ALPHA SUBUNIT, AROMATIC AMINE DEHYDROGENASE BETA SUBUNIT
著者Roujeinikova, A, Scrutton, N, Leys, D.
登録日2006-06-07
公開日2006-09-20
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Atomic level insight into the oxidative half-reaction of aromatic amine dehydrogenase.
J. Biol. Chem., 281, 2006

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