7ZK9
| ABCB1 L971C mutant (mABCB1) in the inward facing state | 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, ATP-dependent translocase ABCB1 | Authors: | Parey, K, Januliene, D, Gewering, T, Zhang, Q, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZK4
| The ABCB1 L335C mutant (mABCB1) in the outward facing state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ... | 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 (2.6 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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8P22
| X-ray structure of acetylcholine-binding protein (AChBP) in complex with IOTA376. | Descriptor: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine, Acetylcholine-binding protein, GLYCEROL, ... | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2023-05-14 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins To Be Published
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8P11
| X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044. | Descriptor: | 4-(4-chlorophenyl)piperidin-4-ol, Acetylcholine-binding protein, CHLORIDE ION, ... | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2023-05-11 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins To Be Published
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7ZRB
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1EVV
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7ZKB
| ABCB1 V978C mutant (mABCB1) in the inward facing state | Descriptor: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-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, (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, 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 (4.7 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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7ZK8
| 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
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1EEH
| UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | Descriptor: | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE | Authors: | Bertrand, J.A, Fanchon, E, Martin, L, Chantalat, L, Auger, G, Blanot, D, van Heijenoort, J, Dideberg, O. | Deposit date: | 2000-01-31 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | "Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase. J.Mol.Biol., 301, 2000
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8P4W
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2MTI
| NMR structure of the lymphocyte receptor NKR-P1A | Descriptor: | Killer cell lectin-like receptor subfamily B member 1A | Authors: | Chmelik, J, Rozbesky, D, Pospisilova, E, Adamek, D, Novak, P. | Deposit date: | 2014-08-19 | Release date: | 2015-11-11 | Last modified: | 2024-10-16 | Method: | SOLUTION NMR | Cite: | Solution structure of the lymphocyte receptor Nkrp1a reveals a distinct conformation of the long loop region as compared to in the crystal structure. Proteins, 84, 2016
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3NQ8
| Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R4 8/5A | Descriptor: | BENZAMIDINE, NITRATE ION, deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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8CK6
| Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-14 | Release date: | 2024-02-28 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 75, 2024
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8CKQ
| Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide | Descriptor: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-16 | Release date: | 2024-02-28 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 75, 2024
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8CKT
| Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide | Descriptor: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-16 | Release date: | 2024-02-28 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 75, 2024
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8CLW
| Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, Cytokinin dehydrogenase 4, ... | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-17 | Release date: | 2024-02-28 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 75, 2024
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8CM2
| Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide | Descriptor: | 2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-17 | Release date: | 2024-02-28 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 75, 2024
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8PUF
| Structure of immature HTLV-1 CA-NTD from in vitro assembled MA126-CANC tubes: axis angle 20 degrees | Descriptor: | Gag protein (Fragment) | Authors: | Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M. | Deposit date: | 2023-07-17 | Release date: | 2023-08-23 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Distinct stabilization of the human T cell leukemia virus type 1 immature Gag lattice. Nat.Struct.Mol.Biol., 2024
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8PUG
| Structure of the immature HTLV-1 CA lattice from full-length Gag VLPs: CA-NTD refinement | Descriptor: | Gag polyprotein | Authors: | Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M. | Deposit date: | 2023-07-17 | Release date: | 2023-08-23 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Distinct stabilization of the human T cell leukemia virus type 1 immature Gag lattice. Nat.Struct.Mol.Biol., 2024
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8PU6
| Structure of immature HTLV-1 CA-NTD from in vitro assembled MA126-CANC tubes: pooled class | Descriptor: | Gag protein (Fragment) | Authors: | Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M. | Deposit date: | 2023-07-17 | Release date: | 2023-08-23 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Distinct stabilization of the human T cell leukemia virus type 1 immature Gag lattice. Nat.Struct.Mol.Biol., 2024
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8PU9
| Structure of immature HTLV-1 CA-NTD from in vitro assembled MA126-CANC tubes: axis angle -10 degrees | Descriptor: | Gag protein (Fragment) | Authors: | Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M. | Deposit date: | 2023-07-17 | Release date: | 2023-08-23 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Distinct stabilization of the human T cell leukemia virus type 1 immature Gag lattice. Nat.Struct.Mol.Biol., 2024
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8PUC
| Structure of immature HTLV-1 CA-NTD from in vitro assembled MA126-CANC tubes: axis angle 05 degrees | Descriptor: | Gag protein (Fragment) | Authors: | Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M. | Deposit date: | 2023-07-17 | Release date: | 2023-08-23 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Distinct stabilization of the human T cell leukemia virus type 1 immature Gag lattice. Nat.Struct.Mol.Biol., 2024
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2MVF
| Structural insight into an essential assembly factor network on the pre-ribosome | Descriptor: | Uncharacterized protein | Authors: | Lee, W, Bassler, J, Paternoga, H, Holdermann, I, Thomas, M, Granneman, S, Barrio-Garcia, C, Nyarko, A, Stier, G, Clark, S.A, Schraivogel, D, Kallas, M, Beckmann, R, Tollervey, D, Barbar, E, Sinning, I, Hurt, E. | Deposit date: | 2014-10-02 | Release date: | 2014-12-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A network of assembly factors is involved in remodeling rRNA elements during preribosome maturation. J.Cell Biol., 207, 2014
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6HBN
| HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | Descriptor: | 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Niefind, K, Hochscherf, J, Dimper, V, Witulski, B, Lindenblatt, D, Jose, J, Le Borgne, M. | Deposit date: | 2018-08-10 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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3O6Y
| Robust computational design, optimization, and structural characterization of retroaldol enzymes | Descriptor: | Retro-Aldolase, SULFATE ION | Authors: | Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | Deposit date: | 2010-07-29 | Release date: | 2011-06-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012
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