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3NDU
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BU of 3ndu by Molmil
HIV-1 Protease Saquinavir:Ritonavir 1:5 complex structure
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, CHLORIDE ION, ...
著者Geremia, S, Olajuyigbe, F.M, Demitri, N.
登録日2010-06-08
公開日2011-07-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
3NDW
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BU of 3ndw by Molmil
HIV-1 Protease Saquinavir:Ritonavir 1:15 complex structure
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Protease, ...
著者Geremia, S, Olajuyigbe, F.M, Demitri, N.
登録日2010-06-08
公開日2011-07-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
3NDT
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BU of 3ndt by Molmil
HIV-1 Protease Saquinavir:Ritonavir 1:1 complex structure
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Geremia, S, Olajuyigbe, F.M, Demitri, N.
登録日2010-06-08
公開日2011-07-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
3NDX
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BU of 3ndx by Molmil
HIV-1 Protease Saquinavir:Ritonavir 1:50 complex structure
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Geremia, S, Olajuyigbe, F.M, Demitri, N.
登録日2010-06-08
公開日2011-07-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
3O20
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BU of 3o20 by Molmil
Electron transfer complexes:experimental mapping of the Redox-dependent Cytochrome C electrostatic surface
分子名称: Cytochrome c, HEME C, NITRATE ION
著者De March, M, De Zorzi, R, Casini, A, Messori, L, Geremia, S, Demitri, N, Gabbiani, C, Guerri, A.
登録日2010-07-22
公開日2012-01-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nitrate as a probe of cytochrome c surface: crystallographic identification of crucial "hot spots" for protein-protein recognition.
J. Inorg. Biochem., 135, 2014
3O1Y
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BU of 3o1y by Molmil
Electron transfer complexes: Experimental mapping of the redox-dependent cytochrome c electrostatic surface
分子名称: Cytochrome c, HEME C, NITRATE ION
著者De March, M, De Zorzi, R, Demitri, N, Gabbiani, C, Guerri, A, Casini, A, Messori, L, Geremia, S.
登録日2010-07-22
公開日2012-01-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Nitrate as a probe of cytochrome c surface: crystallographic identification of crucial "hot spots" for protein-protein recognition.
J. Inorg. Biochem., 135, 2014
7QQ0
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BU of 7qq0 by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (2)
分子名称: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), RHODIUM(II) ION, ...
著者Loreto, D, Merlino, A.
登録日2022-01-05
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
7Z6G
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BU of 7z6g by Molmil
X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with RNase A (2)
分子名称: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), Rhodium, ...
著者Loreto, D, Merlino, A.
登録日2022-03-11
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins
Dalton Trans, 51, 2022
7Z6J
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BU of 7z6j by Molmil
X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with HEWL
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme, Rhodium, ...
著者Loreto, D, Merlino, A.
登録日2022-03-11
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins
Dalton Trans, 51, 2022
7Z6D
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BU of 7z6d by Molmil
X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with RNase A (1)
分子名称: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), ACETATE ION, ...
著者Loreto, D, Merlino, A.
登録日2022-03-11
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins
Dalton Trans, 51, 2022
7NPX
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BU of 7npx by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-Methoxyquinoxalin-2-yl)propanoic acid at 24 hours of soaking
分子名称: 3-(3-methoxyquinoxalin-2-yl)propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Fata, F, Silvestri, I, Williams, D.L, Angelucci, F.
登録日2021-02-28
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
6RB1
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BU of 6rb1 by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 1
分子名称: (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
著者Battistutta, R, Lolli, G.
登録日2019-04-08
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
6RCB
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BU of 6rcb by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 14
分子名称: (~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, Casein kinase II subunit alpha, SULFATE ION
著者Dalle Vedove, A, Lolli, G.
登録日2019-04-11
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
6RCM
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BU of 6rcm by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3
分子名称: (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
著者Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G.
登録日2019-04-11
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
6RFE
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BU of 6rfe by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 4
分子名称: (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
著者Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G.
登録日2019-04-13
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
6RFF
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BU of 6rff by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7
分子名称: (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
著者Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G.
登録日2019-04-14
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
7OSO
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BU of 7oso by Molmil
The crystal structure of Erwinia tasmaniensis levansucrase in complex with (S)-1,2,4-butanentriol
分子名称: (2~{S})-butane-1,2,4-triol, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION
著者Polsinelli, I, Salomone-Stagni, M, Benini, S.
登録日2021-06-09
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Erwinia tasmaniensis levansucrase shows enantiomer selection for (S)-1,2,4-butanetriol.
Acta Crystallogr.,Sect.F, 78, 2022
6H7H
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BU of 6h7h by Molmil
Crystal structure of redox-sensitive phosphoribulokinase (PRK) from Arabidopsis thaliana
分子名称: Phosphoribulokinase, chloroplastic
著者Fermani, S, Sparla, F, Gurrieri, L, Falini, G, Trost, P.
登録日2018-07-31
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.471 Å)
主引用文献ArabidopsisandChlamydomonasphosphoribulokinase crystal structures complete the redox structural proteome of the Calvin-Benson cycle.
Proc.Natl.Acad.Sci.USA, 116, 2019
7P8R
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BU of 7p8r by Molmil
X-ray structure of the adduct of a vanadium picolinate complex with RNase A at pH 5.1
分子名称: Ribonuclease pancreatic, SULFATE ION, hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~N,O)vanadium(3+)
著者Ferraro, G, Merlino, A.
登録日2021-07-23
公開日2021-12-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Spectroscopic/Computational Characterization and the X-ray Structure of the Adduct of the V IV O-Picolinato Complex with RNase A.
Inorg.Chem., 60, 2021
7QPZ
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BU of 7qpz by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (4)
分子名称: Ribonuclease pancreatic, cis-bis(mi2-acetato-O, O')-(mi2-trifluoroacetato-O, ...
著者Loreto, D, Merlino, A.
登録日2022-01-05
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
7QQ1
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BU of 7qq1 by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with HEWL
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme, Rhodium, ...
著者Loreto, D, Merlino, A.
登録日2022-01-05
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
7QPY
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BU of 7qpy by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (3)
分子名称: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), Ribonuclease pancreatic, ...
著者Loreto, D, Merlino, A.
登録日2022-01-05
公開日2022-03-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
7QPW
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BU of 7qpw by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (1)
分子名称: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), Ribonuclease pancreatic, ...
著者Loreto, D, Merlino, A.
登録日2022-01-05
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
7QFA
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BU of 7qfa by Molmil
Monoclinic crystal structure of PTG CBM21 in complex with beta-cyclodextrin
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, Protein phosphatase 1 regulatory subunit 3C
著者Semrau, M.S, Storici, P, Lolli, G.
登録日2021-12-05
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular architecture of the glycogen- committed PP1/PTG holoenzyme.
Nat Commun, 13, 2022
7QM2
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BU of 7qm2 by Molmil
Crystal structure of the PP1/PTG/beta-cyclodextrin ternary complex
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Protein phosphatase 1 regulatory subunit 3C, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
著者Semrau, M.S, Storici, P, Lolli, G.
登録日2021-12-20
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.685 Å)
主引用文献Molecular architecture of the glycogen- committed PP1/PTG holoenzyme.
Nat Commun, 13, 2022

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件を2024-05-15に公開中

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