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7ZK8
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BU of 7zk8 by Molmil
ABCB1 L971C mutant (mABCB1) in the outward facing state bound to AAC
Descriptor: (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, ...
Authors:Parey, K, Januliene, D, Gewering, T, Moeller, A.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
7ZRB
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BU of 7zrb by Molmil
Crystal structure of Beta-catenin Armadillo repeats domain in complex with the inhibitor RS6452
Descriptor: 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide, Catenin beta-1
Authors:Capelli, D, Pochetti, G, Montanari, R.
Deposit date:2022-05-04
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.434 Å)
Cite: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
1S52
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BU of 1s52 by Molmil
Thr24Val Bacteriorhodopsin
Descriptor: RETINAL, bacteriorhodopsin
Authors:Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U.
Deposit date:2004-01-19
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing
J.Am.Chem.Soc., 126, 2004
6E71
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BU of 6e71 by Molmil
Structure of Human Transthyretin Val30Met/Thr119Met Mutant
Descriptor: DI(HYDROXYETHYL)ETHER, Transthyretin
Authors:Saelices, L, Chung, K, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2018-07-25
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: agmatinase
Authors: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.
Deposit date:2004-08-18
Release date:2004-09-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of agmatinase reveals structural conservation and inhibition mechanism of the ureohydrolase superfamily
J.Biol.Chem., 279, 2004
6E78
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BU of 6e78 by Molmil
Structure of Human Transthyretin Asp38Ala Mutant in Complex with Diflunisal
Descriptor: 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, Transthyretin
Authors:Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2018-07-25
Release date:2019-07-31
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.499 Å)
Cite: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)
Descriptor: GRANULOCYTE COLONY-STIMULATING FACTOR
Authors:Lovejoy, B, Cascio, D, Eisenberg, D.
Deposit date:1993-04-27
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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).
Descriptor: Genome polyprotein
Authors:Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D.
Deposit date:2003-10-21
Release date:2004-08-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Dranow, D.M, Lorimer, D.D, Edwards, T.E.
Deposit date:2015-05-03
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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)
Descriptor: GRANULOCYTE COLONY-STIMULATING FACTOR
Authors:Lovejoy, B, Cascio, D, Eisenberg, D.
Deposit date:1993-04-27
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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)
Descriptor: GRANULOCYTE COLONY-STIMULATING FACTOR
Authors:Lovejoy, B, Cascio, D, Eisenberg, D.
Deposit date:1993-04-27
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: GLUTATHIONE, GLYCEROL, Glutathione S-transferase U23, ...
Authors:Tossounian, M.A, Van Molle, I, Wahni, K, Jacques, S, Vertommen, D, Gevaert, K, Van Breusegem, F, Young, D, Rosado, L, Messens, J.
Deposit date:2017-10-11
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.947 Å)
Cite: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
Descriptor: MANGANESE (II) ION, agmatinase
Authors: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.
Deposit date:2004-08-18
Release date:2004-09-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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)
Descriptor: Genome polyprotein
Authors:Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D.
Deposit date:2003-10-21
Release date:2004-08-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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)
Descriptor: Genome polyprotein
Authors:Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D.
Deposit date:2003-10-21
Release date:2004-08-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: Phenolic acid decarboxylase N134
Authors:Mokos, D, Schruefer, A, Gruber, K, Daniel, B.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.67 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2017-12-06
Release date:2018-05-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Nucleoside diphosphate kinase A, SUCCINYL-COENZYME A
Authors:Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
Deposit date:2022-04-14
Release date:2023-08-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
7ZLW
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BU of 7zlw by Molmil
NME1 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A
Authors:Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
Deposit date:2022-04-15
Release date:2023-08-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, Capsid protein VP3, ...
Authors: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.
Deposit date:2019-08-27
Release date:2020-01-15
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020
7ZTK
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BU of 7ztk by Molmil
NME1 in complex with CoA
Descriptor: COENZYME A, Nucleoside diphosphate kinase A
Authors:Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
Deposit date:2022-05-10
Release date:2023-08-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ...
Authors:Reznik, N, Fass, D.
Deposit date:2021-09-22
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Intestinal mucin is a chaperone of multivalent copper.
Cell, 185, 2022
6F2N
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BU of 6f2n by Molmil
Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197
Descriptor: (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6EZA
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BU of 6eza by Molmil
Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K mutant
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Bou-Nader, C, Bregeon, D, Pecqueur, L, Vincent, G, Fontecave, M, Hamdane, D.
Deposit date:2017-11-14
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors: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.
Deposit date:2019-08-23
Release date:2020-01-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020

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