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6C5Y
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BU of 6c5y by Molmil
Crystal structure of thaumatin from microcrystals
分子名称: Thaumatin-1
著者Guo, G, Fuchs, M, Shi, W, Skinner, J, Berman, E, Ogata, C.M, Hendrickson, W.A, McSweeney, S, Liu, Q.
登録日2018-01-17
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Sample manipulation and data assembly for robust microcrystal synchrotron crystallography.
IUCrJ, 5, 2018
4CJG
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BU of 4cjg by Molmil
Spectroscopically validated structure of the 5 coordinate proximal NO adduct of cytochrome c prime from Alcaligenes xylosoxidans
分子名称: CYTOCHROME C', HEME C, NITRIC OXIDE
著者Kekilli, D, Dworkowski, F, Fuchs, M, Antonyuk, S, Hough, M.A.
登録日2013-12-20
公開日2014-05-21
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy.
Acta Crystallogr.,Sect.D, 70, 2014
6NCT
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BU of 6nct by Molmil
Structure of p110alpha/niSH2 - vector data collection
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ...
著者Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B.
登録日2018-12-12
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCK
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BU of 6nck by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM)
分子名称: COPPER (II) ION, NICKEL (II) ION, Peptidyl-glycine alpha-amidating monooxygenase
著者Miller, M.S, Maheshwari, S, Gabelli, S.B.
登録日2018-12-11
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCI
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BU of 6nci by Molmil
Crystal structure of CDP-Chase: Vector data collection
分子名称: D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Miller, M.S, Shi, W, Gabelli, S.B.
登録日2018-12-11
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCH
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BU of 6nch by Molmil
Crystal structure of CDP-Chase: Raster data collection
分子名称: D-ribose, PHOSPHATE ION, Phosphohydrolase (MutT/nudix family protein), ...
著者Miller, M.S, Shi, W, Gabelli, S.B.
登録日2018-12-11
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
8DCV
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BU of 8dcv by Molmil
Lysozyme cluster 0043, NAG ligand
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
著者Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
登録日2022-06-17
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
8DCW
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BU of 8dcw by Molmil
Lysozyme cluster 0062 (NAG and benzamidine ligands)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
著者Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
登録日2022-06-17
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
8DCU
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BU of 8dcu by Molmil
Lysozyme cluster 0028 (benzamidine ligand)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
著者Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
登録日2022-06-17
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
8DCT
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BU of 8dct by Molmil
Lysozyme cluster 3 dual apo structure
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ...
著者Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J.
登録日2022-06-17
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
4CDA
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BU of 4cda by Molmil
Spectroscopically-validated structure of ferric cytochrome c prime from Alcaligenes xylosoxidans
分子名称: CYTOCHROME C', HEME C, SULFATE ION
著者Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A.
登録日2013-10-30
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy.
Acta Crystallogr.,Sect.D, 70, 2014
4CDV
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BU of 4cdv by Molmil
Spectroscopically-validated structure of cytochrome c prime from Alcaligenes xylosoxidans, reduced by X-ray irradiation at 100K
分子名称: CYTOCHROME C', HEME C, SULFATE ION
著者Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A.
登録日2013-11-06
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy.
Acta Crystallogr.,Sect.D, 70, 2014
4CDY
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BU of 4cdy by Molmil
Spectroscopically-validated structure of cytochrome c prime from Alcaligenes xylosoxidans, reduced by X-ray irradiation at 160K
分子名称: CYTOCHROME C', HEME C
著者Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A.
登録日2013-11-07
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy.
Acta Crystallogr.,Sect.D, 70, 2014
4CJO
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BU of 4cjo by Molmil
Spectroscopically-validated structure of ferrous cytochrome c prime from Alcaligenes xylosoxidans, reduced at 180K using X-rays
分子名称: CYTOCHROME C', HEME C
著者Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A.
登録日2013-12-21
公開日2014-05-21
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy.
Acta Crystallogr.,Sect.D, 70, 2014
4CIP
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BU of 4cip by Molmil
Spectroscopically-validated structure of ferrous cytochrome c prime from Alcaligenes xylosoxidans, reduced using ascorbate
分子名称: ASCORBIC ACID, CYTOCHROME C', HEME C, ...
著者Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A.
登録日2013-12-13
公開日2014-05-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy.
Acta Crystallogr.,Sect.D, 70, 2014
4G51
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BU of 4g51 by Molmil
Crystallographic analysis of the interaction of nitric oxide with hemoglobin from Trematomus bernacchii in the T quaternary structure (fully ligated state).
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRIC OXIDE, ...
著者Merlino, A, Balsamo, A, Pica, A, Mazzarella, L, Vergara, A.
登録日2012-07-17
公開日2013-01-16
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Selective X-ray-induced NO photodissociation in haemoglobin crystals: evidence from a Raman-assisted crystallographic study.
Acta Crystallogr.,Sect.D, 69, 2013
3TGA
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BU of 3tga by Molmil
Crystal structure of L130R mutant of Nitrophorin 4 from Rhodnius prolixus at pH 7.4
分子名称: Nitrophorin-4, PROTOPORPHYRIN IX CONTAINING FE
著者Ogata, H, He, C, Knipp, M.
登録日2011-08-17
公開日2012-05-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Guanidine-Ferroheme Coordination in the Mutant Protein Nitrophorin 4(L130R).
Angew.Chem.Int.Ed.Engl., 51, 2012
3TGB
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BU of 3tgb by Molmil
Crystal structure of L130R mutant of Nitrophorin 4 from Rhodnius prolixus complexed with imidazole at pH 7.4
分子名称: IMIDAZOLE, Nitrophorin-4, PROTOPORPHYRIN IX CONTAINING FE
著者Ogata, H, He, C, Knipp, M.
登録日2011-08-17
公開日2012-05-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Guanidine-Ferroheme Coordination in the Mutant Protein Nitrophorin 4(L130R).
Angew.Chem.Int.Ed.Engl., 51, 2012
7KQW
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BU of 7kqw by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KQP
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BU of 7kqp by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (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, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KQO
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BU of 7kqo by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KR0
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BU of 7kr0 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-18
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KR1
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BU of 7kr1 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-18
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
8G83
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BU of 8g83 by Molmil
Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain
分子名称: NAD(+) hydrolase AbTIR
著者Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A.
登録日2023-02-17
公開日2023-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations.
J.Biol.Chem., 299, 2023
5RSO
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BU of 5rso by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000226
分子名称: Non-structural protein 3, PARA ACETAMIDO BENZOIC ACID
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2022-05-25
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021

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