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7TX1
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BU of 7tx1 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 10 (P43 crystal form)
分子名称: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 10 (P43 crystal form)
To Be Published
7TWV
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BU of 7twv by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 5 (P43 crystal form)
分子名称: CITRIC ACID, Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 5 (P43 crystal form)
To Be Published
7TWX
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BU of 7twx by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 7 (P43 crystal form)
分子名称: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 7 (P43 crystal form)
To Be Published
7OUZ
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BU of 7ouz by Molmil
Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.9 Angstroms resolution, crystal 1
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, PROLINE, ...
著者Rindfleisch, S, Tittmann, K.
登録日2021-06-14
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
3VOR
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BU of 3vor by Molmil
Crystal Structure Analysis of the CofA
分子名称: CFA/III pilin
著者Fukakusa, S, Kawahara, K, Nakamura, S, Iwasita, T, Baba, S, Nishimura, M, Kobayashi, Y, Honda, T, Iida, T, Taniguchi, T, Ohkubo, T.
登録日2012-02-06
公開日2012-09-26
最終更新日2013-07-31
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Structure of the CFA/III major pilin subunit CofA from human enterotoxigenic Escherichia coli determined at 0.90 A resolution by sulfur-SAD phasing
Acta Crystallogr.,Sect.D, 68, 2012
4GCA
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BU of 4gca by Molmil
Complex of Aldose Reductase with inhibitor IDD 1219
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid
著者Podjarny, A.D, Van Zandt, M, Geraci, L.S.
登録日2012-07-30
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Complex of Aldose Reductase with inhibitor IDD 1219
TO BE PUBLISHED
8SH6
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BU of 8sh6 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant (P43 crystal form)
分子名称: Papain-like protease nsp3
著者Correy, G.J, Fraser, J.S.
登録日2023-04-13
公開日2024-05-01
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant (P43 crystal form)
To Be Published
8SH8
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BU of 8sh8 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
分子名称: Papain-like protease nsp3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Fraser, J.S.
登録日2023-04-13
公開日2024-05-01
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
To Be Published
8GJV
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BU of 8gjv by Molmil
Chemical synthesis of maxamycins: Intermediate compound 10
分子名称: Intermediate compound 10 for maxamycins synthesis, METHANOL
著者Stanfield, R.L, Moore, M.J, Boger, D.L.
登録日2023-03-16
公開日2023-06-21
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Divergent Total Synthesis and Characterization of Maxamycins.
J.Am.Chem.Soc., 145, 2023
4TUT
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BU of 4tut by Molmil
Structure of a Prion peptide
分子名称: Prion peptide: GLY-GLY-TYR-MET-LEU-GLY
著者Yu, L, Lee, S.-J, Yee, V.
登録日2014-06-24
公開日2015-05-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
6EVH
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BU of 6evh by Molmil
Lipoaminopeptide helioferin A and B from Mycogone rosea
分子名称: CHLORIDE ION, FLUORIDE ION, Lipoaminopeptide helioferin A and B
著者Gessmann, R, Petratos, K.
登録日2017-11-01
公開日2018-07-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Aminolipopeptide helioferin A and B
Acta Cryst. D, 74, 2018
5Y2S
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BU of 5y2s by Molmil
7.0 atm CO2-pressurized human carbonic anhydrase II
分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Kim, C.U, Park, S.Y.
登録日2017-07-27
公開日2018-02-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
1G66
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BU of 1g66 by Molmil
ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION
分子名称: ACETYL XYLAN ESTERASE II, GLYCEROL, SULFATE ION
著者Ghosh, D, Sawicki, M, Lala, P, Erman, M, Pangborn, W, Eyzaguirre, J, Gutierrez, R, Jornvall, H, Thiel, D.J.
登録日2000-11-03
公開日2001-01-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Multiple conformations of catalytic serine and histidine in acetylxylan esterase at 0.90 A.
J.Biol.Chem., 276, 2001
5R32
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BU of 5r32 by Molmil
PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 26, DMSO-Free
分子名称: Endothiapepsin
著者Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
登録日2020-02-13
公開日2020-06-03
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
6Y14
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BU of 6y14 by Molmil
Bicyclic peptide bp65 crystallized as racemic mixture at 0.9 Angstrom resolution
分子名称: CITRIC ACID, bp65
著者Baeriswyl, S, Stocker, A, Reymond, J.-L.
登録日2020-02-11
公開日2021-02-17
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
2BW4
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BU of 2bw4 by Molmil
Atomic Resolution Structure of Resting State of the Achromobacter cycloclastes Cu Nitrite Reductase
分子名称: ACETATE ION, COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, ...
著者Antonyuk, S.V, Strange, R.W, Sawers, G, Eady, R.R, Hasnain, S.S.
登録日2005-07-12
公開日2005-08-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Atomic Resolution Structures of Resting-State, Substrate- and Product-Complexed Cu-Nitrite Reductase Provide Insight Into Catalytic Mechanism
Proc.Natl.Acad.Sci.USA, 102, 2005
5RBR
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BU of 5rbr by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C04a
分子名称: 2-hydrazinyl-4-methoxypyrimidine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
7PSY
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BU of 7psy by Molmil
X-ray crystal structure of perdeuterated LecB lectin in complex with perdeuterated fucose
分子名称: CALCIUM ION, Fucose-binding lectin, SULFATE ION, ...
著者Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A.
登録日2021-09-24
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
5I5B
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BU of 5i5b by Molmil
quasi racemic structure of allo-Thr13-ShK and D-ShK
分子名称: D-ShK, GLYCEROL, Kappa-stichotoxin-She3a, ...
著者Dang, B, Kubota, T, Mandal, K, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H.
登録日2016-02-15
公開日2017-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
3ZTM
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BU of 3ztm by Molmil
Cytochrome c prime from alcaligenes xylosoxidans: as isolated L16G variant at 0.9 A resolution: unrestraint refinement
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-07-11
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZR8
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BU of 3zr8 by Molmil
Crystal structure of RxLR effector Avr3a11 from Phytophthora capsici
分子名称: AVR3A11, CHLORIDE ION, TRIETHYLENE GLYCOL
著者Boutemy, L.S, King, S.R.F, Win, J, Hughes, R.K, Clarke, T.A, Blumenschein, T.M.A, Kamoun, S, Banfield, M.J.
登録日2011-06-15
公開日2011-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Structures of Phytophthora Rxlr Effector Proteins: A Conserved But Adaptable Fold Underpins Functional Diversity.
J.Biol.Chem., 286, 2011
8ANM
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BU of 8anm by Molmil
Structure of the amyloid-forming peptide LYIQWL from Tc5b, grown from water
分子名称: Peptide LYIQWL from Tc5b
著者Durvanger, Z.
登録日2022-08-05
公開日2023-08-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Polymorphic amyloid nanostructures of hormone peptides involved in glucose homeostasis display reversible amyloid formation.
Nat Commun, 14, 2023
6ZYB
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BU of 6zyb by Molmil
Sarcin-Ricin Loop RNA from Ecoli with a C2667-2'-OCF3 modification
分子名称: Sarcin-Ricin Loop RNA from Ecoli with a C2667-2'-OCF3 modification
著者Ennifar, E.
登録日2020-07-31
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献2'- O -Trifluoromethylated RNA - a powerful modification for RNA chemistry and NMR spectroscopy.
Chem Sci, 11, 2020
3SBN
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BU of 3sbn by Molmil
trichovirin I-4A in polar environment at 0.9 Angstroem
分子名称: ACETONITRILE, METHANOL, Trichovirin I-4A
著者Gessmann, R, Axford, D, Petratos, K.
登録日2011-06-06
公開日2011-12-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Four complete turns of a curved 310-helix at atomic resolution: The crystal structure of the peptaibol trichovirin I-4A in polar environment suggests a transition to alpha-helix for membrane function
Acta Crystallogr.,Sect.D, 68, 2012
7WOM
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BU of 7wom by Molmil
The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with eicosapentaenoic acid
分子名称: 5,8,11,14,17-EICOSAPENTAENOIC ACID, Fatty acid-binding protein, heart
著者Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2022-01-21
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with eicosapentaenoic acid
To Be Published

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件を2024-06-12に公開中

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