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7ZK8
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ABCB1 L971C mutant (mABCB1) in the outward facing state bound to AAC
分子名称: (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ...
著者Parey, K, Januliene, D, Gewering, T, Moeller, A.
登録日2022-04-12
公開日2023-04-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
1S52
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Thr24Val Bacteriorhodopsin
分子名称: RETINAL, bacteriorhodopsin
著者Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U.
登録日2004-01-19
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing
J.Am.Chem.Soc., 126, 2004
7ZRB
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Crystal structure of Beta-catenin Armadillo repeats domain in complex with the inhibitor RS6452
分子名称: 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide, Catenin beta-1
著者Capelli, D, Pochetti, G, Montanari, R.
登録日2022-05-04
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.434 Å)
主引用文献Novel N -(Heterocyclylphenyl)benzensulfonamide Sharing an Unreported Binding Site with T-Cell Factor 4 at the beta-Catenin Armadillo Repeats Domain as an Anticancer Agent.
Acs Pharmacol Transl Sci, 6, 2023
6E71
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BU of 6e71 by Molmil
Structure of Human Transthyretin Val30Met/Thr119Met Mutant
分子名称: DI(HYDROXYETHYL)ETHER, Transthyretin
著者Saelices, L, Chung, K, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2018-07-25
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Variants of Transthyretin
To Be Published
1WOH
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BU of 1woh by Molmil
Crystal Structure of Agmatinase Reveals Structural Conservation and Inhibition Mechanism of the Ureohydrolase Superfamily
分子名称: agmatinase
著者Ahn, H.J, Kim, K.H, Lee, J, Ha, J.-Y, Lee, H.H, Kim, D, Yoon, H.-J, Kwon, A.-R, Suh, S.W.
登録日2004-08-18
公開日2004-09-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of agmatinase reveals structural conservation and inhibition mechanism of the ureohydrolase superfamily
J.Biol.Chem., 279, 2004
6E78
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Structure of Human Transthyretin Asp38Ala Mutant in Complex with Diflunisal
分子名称: 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, Transthyretin
著者Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2018-07-25
公開日2019-07-31
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structural Variants of Transthyretin
To Be Published
1BGE
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BU of 1bge by Molmil
CRYSTAL STRUCTURE OF CANINE AND BOVINE GRANULOCYTE-COLONY STIMULATING FACTOR (G-CSF)
分子名称: GRANULOCYTE COLONY-STIMULATING FACTOR
著者Lovejoy, B, Cascio, D, Eisenberg, D.
登録日1993-04-27
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of canine and bovine granulocyte-colony stimulating factor (G-CSF).
J.Mol.Biol., 234, 1993
1R7E
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BU of 1r7e by Molmil
NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure. Sample in 100mM SDS).
分子名称: Genome polyprotein
著者Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D.
登録日2003-10-21
公開日2004-08-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A.
J.Biol.Chem., 279, 2004
5B8I
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BU of 5b8i by Molmil
Crystal structure of Calcineurin A and Calcineurin B in complex with FKBP12 and FK506 from Coccidioides immitis RS
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Dranow, D.M, Lorimer, D.D, Edwards, T.E.
登録日2015-05-03
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
1BGD
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BU of 1bgd by Molmil
CRYSTAL STRUCTURE OF CANINE AND BOVINE GRANULOCYTE-COLONY STIMULATING FACTOR (G-CSF)
分子名称: GRANULOCYTE COLONY-STIMULATING FACTOR
著者Lovejoy, B, Cascio, D, Eisenberg, D.
登録日1993-04-27
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of canine and bovine granulocyte-colony stimulating factor (G-CSF).
J.Mol.Biol., 234, 1993
1BGC
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BU of 1bgc by Molmil
CRYSTAL STRUCTURE OF CANINE AND BOVINE GRANULOCYTE-COLONY STIMULATING FACTOR (G-CSF)
分子名称: GRANULOCYTE COLONY-STIMULATING FACTOR
著者Lovejoy, B, Cascio, D, Eisenberg, D.
登録日1993-04-27
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of canine and bovine granulocyte-colony stimulating factor (G-CSF).
J.Mol.Biol., 234, 1993
6EP7
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BU of 6ep7 by Molmil
ARABIDOPSIS THALIANA GSTU23, GSH bound
分子名称: GLUTATHIONE, GLYCEROL, Glutathione S-transferase U23, ...
著者Tossounian, M.A, Van Molle, I, Wahni, K, Jacques, S, Vertommen, D, Gevaert, K, Van Breusegem, F, Young, D, Rosado, L, Messens, J.
登録日2017-10-11
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage.
Biochim. Biophys. Acta, 1862, 2018
1WOI
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BU of 1woi by Molmil
Crystal Structure of Agmatinase Reveals Structural Conservation and Inhibition Mechanism of the Ureohydrolase Superfamily
分子名称: MANGANESE (II) ION, agmatinase
著者Ahn, H.J, Kim, K.H, Lee, J, Ha, J.-Y, Lee, H.H, Kim, D, Yoon, H.-J, Kwon, A.-R, Suh, S.W.
登録日2004-08-18
公開日2004-09-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of agmatinase reveals structural conservation and inhibition mechanism of the ureohydrolase superfamily
J.Biol.Chem., 279, 2004
1R7C
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BU of 1r7c by Molmil
NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure, Sample in 50% tfe)
分子名称: Genome polyprotein
著者Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D.
登録日2003-10-21
公開日2004-08-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A.
J.Biol.Chem., 279, 2004
1R7F
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BU of 1r7f by Molmil
NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Ensemble of 43 structures. Sample in 100mM SDS)
分子名称: Genome polyprotein
著者Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D.
登録日2003-10-21
公開日2004-08-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A.
J.Biol.Chem., 279, 2004
8A85
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BU of 8a85 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD134
分子名称: Phenolic acid decarboxylase N134
著者Mokos, D, Schruefer, A, Gruber, K, Daniel, B.
登録日2022-06-22
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Reconstructed ancestral sequences of bacterial phenolic acid decarboxylase show increased thermostability
To Be Published
6F6R
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BU of 6f6r by Molmil
Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide
分子名称: (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION
著者Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F.
登録日2017-12-06
公開日2018-05-02
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
7ZL8
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BU of 7zl8 by Molmil
NME1 in complex with succinyl-CoA
分子名称: Nucleoside diphosphate kinase A, SUCCINYL-COENZYME A
著者Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
登録日2022-04-14
公開日2023-08-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
6SNW
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BU of 6snw by Molmil
Structure of Coxsackievirus A10 complexed with its receptor KREMEN1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, Capsid protein VP3, ...
著者Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2019-08-27
公開日2020-01-15
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020
7ZLW
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BU of 7zlw by Molmil
NME1 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A
著者Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
登録日2022-04-15
公開日2023-08-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
7ZTK
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BU of 7ztk by Molmil
NME1 in complex with CoA
分子名称: COENZYME A, Nucleoside diphosphate kinase A
著者Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
登録日2022-05-10
公開日2023-08-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
7PRL
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BU of 7prl by Molmil
MUC2 D1 with Cu(II)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ...
著者Reznik, N, Fass, D.
登録日2021-09-22
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Intestinal mucin is a chaperone of multivalent copper.
Cell, 185, 2022
6F2N
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Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197
分子名称: (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
著者McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J.
登録日2017-11-24
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.149 Å)
主引用文献Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6EZA
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Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K mutant
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Bou-Nader, C, Bregeon, D, Pecqueur, L, Vincent, G, Fontecave, M, Hamdane, D.
登録日2017-11-14
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
6SNB
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BU of 6snb by Molmil
Structure of Coxsackievirus A10 A-particle
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2019-08-23
公開日2020-01-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020

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