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2GCF
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BU of 2gcf by Molmil
Solution structure of the N-terminal domain of the coppper(I) ATPase PacS in its apo form
分子名称: Cation-transporting ATPase pacS
著者Banci, L, Bertini, I, Ciofi-Baffoni, S, Kandias, N.G, Spyroulias, G.A, Robinson, N.J, Structural Proteomics in Europe (SPINE)
登録日2006-03-14
公開日2006-05-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The delivery of copper for thylakoid import observed by NMR.
Proc.Natl.Acad.Sci.Usa, 103, 2006
8BYP
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BU of 8byp by Molmil
Botulinum neurotoxin serotype X in complex with NTNH/X
分子名称: Botulinum neurotoxin type X, NTNH/X
著者Martinez-Carranza, M, Skerlova, J, Stenmark, P.
登録日2022-12-15
公開日2023-02-08
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structure and activity of botulinum neurotoxin X.
Biorxiv, 2023
4AXL
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BU of 4axl by Molmil
HUMAN CATHEPSIN L APO FORM WITH ZN
分子名称: ACETATE ION, CATHEPSIN L1, GLYCEROL, ...
著者Banner, D.W, Benz, J.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L
Chemmedchem, 8, 2013
8C8J
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BU of 8c8j by Molmil
Long Interspersed Nuclear Element 1 (LINE-1) reverse transcriptase ternary complex with hybrid duplex and dTTP
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, ...
著者Nichols, C.E, Walpole, T.B, Baldwin, E.
登録日2023-01-20
公開日2023-12-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
1PER
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BU of 1per by Molmil
THE COMPLEX BETWEEN PHAGE 434 REPRESSION DNA-BINDING DOMAIN AND OPERATOR SITE OR3: STRUCTURAL DIFFERENCES BETWEEN CONSENSUS AND NON-CONSENSUS HALF-SITES
分子名称: DNA (5'-D(*AP*AP*GP*TP*AP*CP*AP*GP*TP*TP*TP*TP*TP*CP*TP*TP*G P*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*GP*AP*AP*AP*AP*AP*CP*TP*GP*T P*AP*CP*T)-3'), PROTEIN (434 REPRESSOR)
著者Rodgers, D.W, Harrison, S.C.
登録日1993-11-09
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The complex between phage 434 repressor DNA-binding domain and operator site OR3: structural differences between consensus and non-consensus half-sites.
Structure, 1, 1993
4AXM
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BU of 4axm by Molmil
TRIAZINE CATHEPSIN INHIBITOR COMPLEX
分子名称: 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide, CATHEPSIN L1, GLYCEROL
著者Ehmke, V, Diederich, F, Banner, D.W, Benz, J.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L
Chemmedchem, 8, 2013
4BYY
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BU of 4byy by Molmil
Apo GlxR
分子名称: GLYCEROL, PHOSPHATE ION, TRANSCRIPTIONAL REGULATOR, ...
著者Pohl, E, Cann, M.J, Townsend, P.D, Money, V.A.
登録日2013-07-21
公開日2014-07-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The Crystal Structures of Apo and Camp-Bound Glxr from Corynebacterium Glutamicum Reveal Structural and Dynamic Changes Upon Camp Binding in Crp/Fnr Family Transcription Factors.
Plos One, 9, 2014
3CRO
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BU of 3cro by Molmil
THE PHAGE 434 CRO/OR1 COMPLEX AT 2.5 ANGSTROMS RESOLUTION
分子名称: DNA (5'-D(*AP*AP*GP*TP*AP*CP*AP*AP*AP*CP*TP*TP*TP*CP*TP*TP*G P*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*GP*AP*AP*AP*GP*TP*TP*TP*GP*T P*AP*CP*T)-3'), PROTEIN (434 CRO)
著者Mondragon, A, Harrison, S.C.
登録日1990-07-06
公開日1991-10-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The phage 434 Cro/OR1 complex at 2.5 A resolution.
J.Mol.Biol., 219, 1991
3T03
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BU of 3t03 by Molmil
Crystal structure of PPAR gamma ligand binding domain in complex with a novel partial agonist GQ-16
分子名称: (5Z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Rajagopalan, S, Webb, P, Baxter, J.D, Brennan, R.G, Phillips, K.J.
登録日2011-07-19
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献GQ-16, a novel peroxisome proliferator-activated receptor (PPAR gamma) ligand, promotes insulin sensitization without weight gain.
J.Biol.Chem., 287, 2012
5XMR
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BU of 5xmr by Molmil
Plasmodium vivax SHMT(C346A) bound with PLP-glycine and GS395
分子名称: (4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2 ,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-05-16
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
5XMS
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BU of 5xms by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS498
分子名称: (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-05-16
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
5XMP
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BU of 5xmp by Molmil
Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057
分子名称: 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-05-16
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
7VV9
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BU of 7vv9 by Molmil
Crystal Structure of HRas(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Zheng, Y.Y, Zhou, C.
登録日2021-11-05
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VVG
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BU of 7vvg by Molmil
Crystal Structure of HRasG12V(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Zheng, Y.Y, Zhou, C.
登録日2021-11-06
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VV8
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BU of 7vv8 by Molmil
Crystal Structure of HRasQ61L(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Zheng, Y.Y, Zhou, C.
登録日2021-11-04
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VVB
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BU of 7vvb by Molmil
Crystal Structure of KRas4A(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Zheng, Y.Y, Zhou, C.
登録日2021-11-05
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
5XMQ
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BU of 5xmq by Molmil
Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF011
分子名称: 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-05-16
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
5YG4
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BU of 5yg4 by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and S-GS849
分子名称: 2-[1-[(3~{S})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid, CHLORIDE ION, GLYCEROL, ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-09-22
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold
ChemMedChem, 13, 2018
5YG2
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BU of 5yg2 by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS705
分子名称: 3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-09-22
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold
ChemMedChem, 13, 2018
5YG3
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BU of 5yg3 by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and S-GS834
分子名称: (3~{S})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5'-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-09-22
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold
ChemMedChem, 13, 2018
5YFZ
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BU of 5yfz by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and S-GS626
分子名称: 2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-09-22
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold
ChemMedChem, 13, 2018
7BB1
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BU of 7bb1 by Molmil
Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glutamic acid 2:1
分子名称: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
著者Belviso, B.D, Caliandro, R, Carrozzini, B.
登録日2020-12-16
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
7B9J
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BU of 7b9j by Molmil
Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Urea 1:2
分子名称: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
著者Belviso, B.D, Caliandro, R, Carrozzini, B.
登録日2020-12-14
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
7BAZ
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BU of 7baz by Molmil
Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glycerol 1:2
分子名称: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
著者Belviso, B.D, Caliandro, R, Carrozzini, B.
登録日2020-12-16
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
5XMV
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Plasmodium vivax SHMT bound with PLP-glycine and GS362
分子名称: (4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-05-16
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017

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