5SVC
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![BU of 5svc by Molmil](/molmil-images/mine/5svc) | Mechanism of ATP-Dependent Acetone Carboxylation, Acetone Carboxylase nucleotide-free structure | 分子名称: | Acetone carboxylase alpha subunit, Acetone carboxylase beta subunit, Acetone carboxylase gamma subunit, ... | 著者 | Eilers, B.J, Mus, F, Alleman, A.B, Kabasakal, B.V, Murray, J.W, Nocek, B.P, Dubois, J.L, Peters, J.W. | 登録日 | 2016-08-05 | 公開日 | 2017-08-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation. Sci Rep, 7, 2017
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6DI4
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4FAK
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![BU of 4fak by Molmil](/molmil-images/mine/4fak) | Crystal Structure of OrfX in Complex with S-Adenosylmethionine | 分子名称: | PHOSPHATE ION, Ribosomal RNA large subunit methyltransferase H, S-ADENOSYLMETHIONINE, ... | 著者 | Safo, M.K, Musayev, F.N, Boundy, S, Archer, G.L, Rife, J.P, O'Farrell, H.C. | 登録日 | 2012-05-22 | 公開日 | 2012-06-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Characterization of the Staphylococcus aureus rRNA Methyltransferase Encoded by orfX, the Gene Containing the Staphylococcal Chromosome Cassette mec (SCCmec) Insertion Site. J.Biol.Chem., 288, 2013
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8EGI
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![BU of 8egi by Molmil](/molmil-images/mine/8egi) | X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Donkor, A.K, Musayev, F.N, Safo, M.K. | 登録日 | 2022-09-12 | 公開日 | 2022-11-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease. Molecules, 27, 2022
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7N1R
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![BU of 7n1r by Molmil](/molmil-images/mine/7n1r) | A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP | 分子名称: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ... | 著者 | Yang, J, Musayev, F, Liu, Q. | 登録日 | 2021-05-28 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP). Protein Sci., 31, 2022
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7N3S
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7N3R
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6ZO1
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![BU of 6zo1 by Molmil](/molmil-images/mine/6zo1) | 1.61 A resolution 3,5-dimethylcatechol (3,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | 分子名称: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | 著者 | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | 登録日 | 2020-07-07 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZNZ
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![BU of 6znz by Molmil](/molmil-images/mine/6znz) | 1.89 A resolution 4-methylcatechol (4-methylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | 分子名称: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | 著者 | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | 登録日 | 2020-07-07 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO3
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![BU of 6zo3 by Molmil](/molmil-images/mine/6zo3) | 1.55 A resolution 3,6-dimethylcatechol (3,6-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | 分子名称: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | 著者 | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | 登録日 | 2020-07-07 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO0
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![BU of 6zo0 by Molmil](/molmil-images/mine/6zo0) | 2.23 A resolution 3,4-dimethylcatechol (3,4-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | 分子名称: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | 著者 | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | 登録日 | 2020-07-07 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZNY
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![BU of 6zny by Molmil](/molmil-images/mine/6zny) | 1.50 A resolution 3-methylcatechol (3-methylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | 分子名称: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | 著者 | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | 登録日 | 2020-07-07 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO2
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![BU of 6zo2 by Molmil](/molmil-images/mine/6zo2) | 1.65 A resolution 4,5-dimethylcatechol (4,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | 分子名称: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | 著者 | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | 登録日 | 2020-07-07 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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5OL4
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![BU of 5ol4 by Molmil](/molmil-images/mine/5ol4) | 1.28 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPT | 分子名称: | 1,2-ETHANEDIOL, NICKEL (II) ION, Phosphoramidothioic O,O-acid, ... | 著者 | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | 登録日 | 2017-07-26 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Urease Inhibition in the Presence of N-(n-Butyl)thiophosphoric Triamide, a Suicide Substrate: Structure and Kinetics. Biochemistry, 56, 2017
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5O57
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![BU of 5o57 by Molmil](/molmil-images/mine/5o57) | Solution Structure of the N-terminal Region of Dkk4 | 分子名称: | Dickkopf-related protein 4 | 著者 | Waters, L.C, Patel, S, Barkell, A.M, Muskett, F.W, Robinson, M.K, Holdsworth, G, Carr, M.D. | 登録日 | 2017-06-01 | 公開日 | 2018-06-13 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural and functional analysis of Dickkopf 4 (Dkk4): New insights into Dkk evolution and regulation of Wnt signaling by Dkk and Kremen proteins. J. Biol. Chem., 293, 2018
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6G81
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![BU of 6g81 by Molmil](/molmil-images/mine/6g81) | Solution structure of the Ni metallochaperone HypA from Helicobacter pylori | 分子名称: | Hydrogenase maturation factor HypA, ZINC ION | 著者 | Spronk, C.A.E.M, Zerko, S, Gorka, M, Kozminski, W, Bardiaux, B, Zambelli, B, Musiani, F, Piccioli, M, Hu, H, Maroney, M, Ciurli, S. | 登録日 | 2018-04-07 | 公開日 | 2018-10-10 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure and dynamics of Helicobacter pylori nickel-chaperone HypA: an integrated approach using NMR spectroscopy, functional assays and computational tools. J. Biol. Inorg. Chem., 23, 2018
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6XB8
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6XE7
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![BU of 6xe7 by Molmil](/molmil-images/mine/6xe7) | Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 2-((2-formyl-3-hydroxyphenoxy)methyl)nicotinate | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | 登録日 | 2020-06-12 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents. J.Med.Chem., 63, 2020
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6XD9
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![BU of 6xd9 by Molmil](/molmil-images/mine/6xd9) | Carbonmonoxy hemoglobin in complex with the antisickling agent 2-hydroxy-6-((6-(hydroxymethyl)pyridin-2-yl)methoxy)benzaldehyde (VZHE039) | 分子名称: | 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | 登録日 | 2020-06-10 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | VZHE-039, a novel antisickling agent that prevents erythrocyte sickling under both hypoxic and anoxic conditions. Sci Rep, 10, 2020
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6XDT
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![BU of 6xdt by Molmil](/molmil-images/mine/6xdt) | Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 5-((2-formyl-4-methoxyphenoxy)methyl)picolinate | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | 登録日 | 2020-06-11 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents. J.Med.Chem., 63, 2020
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7UF6
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7UF7
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7U9H
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![BU of 7u9h by Molmil](/molmil-images/mine/7u9h) | Crystal Structure of Escherichia coli apo Pyridoxal 5'-phosphate homeostasis protein (YGGS) | 分子名称: | Pyridoxal phosphate homeostasis protein, SULFATE ION | 著者 | Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K. | 登録日 | 2022-03-10 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability. Protein Sci., 31, 2022
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6BNR
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![BU of 6bnr by Molmil](/molmil-images/mine/6bnr) | Carbonmonoxy hemoglobin in complex with the antisickling agent 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde (INN310) | 分子名称: | 2-[(4-methoxy-2-methylphenoxy)methyl]pyridine, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | 著者 | Pagare, P.P, Musayev, F.N, Safo, M.K. | 登録日 | 2017-11-17 | 公開日 | 2018-09-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Rational design of pyridyl derivatives of vanillin for the treatment of sickle cell disease. Bioorg. Med. Chem., 26, 2018
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3ONZ
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![BU of 3onz by Molmil](/molmil-images/mine/3onz) | Human tetrameric hemoglobin: proximal nitrite ligand at beta | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | 著者 | Yi, J, Thormas, L.M, Safo, M.K, Musayev, F.N, Richter-Addo, G.B. | 登録日 | 2010-08-30 | 公開日 | 2011-09-07 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.087 Å) | 主引用文献 | Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin. Biochemistry, 50, 2011
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