5K5E
 
 | | Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | De la Mora, E, Dighe, S.N, Deora, G.S, Ross, B.P, Nachon, F, Brazzolotto, X. | | Deposit date: | 2016-05-23 | | Release date: | 2016-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening.
J.Med.Chem., 59, 2016
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3OEI
 | | Crystal structure of Mycobacterium tuberculosis RelJK (Rv3357-Rv3358-RelBE3) | | Descriptor: | CITRATE ANION, RelJ (Antitoxin Rv3357), RelK (Toxin Rv3358) | | Authors: | Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2010-08-12 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.145 Å) | | Cite: | Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
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8IP4
 | | Cryo-EM structure of hMRS-highEDTA | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | | Deposit date: | 2023-03-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel.
Nat Commun, 14, 2023
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8IP5
 | | Cryo-EM structure of hMRS2-lowEDTA | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | | Deposit date: | 2023-03-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel.
Nat Commun, 14, 2023
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8IP6
 | | Cryo-EM structure of hMRS2-rest | | Descriptor: | CHLORIDE ION, Magnesium transporter MRS2 homolog, mitochondrial | | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | | Deposit date: | 2023-03-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel.
Nat Commun, 14, 2023
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8IP3
 | | Cryo-EM structure of hMRS2-Mg | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | | Deposit date: | 2023-03-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel.
Nat Commun, 14, 2023
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6EZ2
 | | Human butyrylcholinesterase carbamylated. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, de la Mora, E, Dighe, S.N, Ross, B.P. | | Deposit date: | 2017-11-14 | | Release date: | 2018-12-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model.
Commun Chem, 2019
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6EUE
 | | Rivastigmine analogue bound to Tc ACHE. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, PENTAETHYLENE GLYCOL | | Authors: | De la Mora, E, Brazzolotto, X, Dighe, S.N, Silman, I, Weik, M, Ross, B. | | Deposit date: | 2017-10-30 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Commun Chem, 2019
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7T3D
 | | CryoEM map of anchor 222-1C06 Fab and lateral patch 2B05 Fab binding H1 HA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 222-1C06 mAb heavy chain, ... | | Authors: | Han, J, Ward, A.B. | | Deposit date: | 2021-12-07 | | Release date: | 2022-01-12 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Broadly neutralizing antibodies target a haemagglutinin anchor epitope.
Nature, 602, 2022
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2JUU
 | | allo-ThrA3 DKP-insulin | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2007-09-03 | | Release date: | 2007-10-16 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
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2JUM
 | | ThrA3-DKP-insulin | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2007-08-31 | | Release date: | 2007-10-16 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
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2JUV
 | | AbaA3-DKP-insulin | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2007-09-05 | | Release date: | 2007-10-16 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
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2QRZ
 | | Cdc42 bound to GMP-PCP: Induced Fit by Effector is Required | | Descriptor: | Cell division control protein 42 homolog precursor, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | | Authors: | Phillips, M.J, Calero, G, Chan, B, Cerione, R.A. | | Deposit date: | 2007-07-30 | | Release date: | 2008-03-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Effector Proteins Exert an Important Influence on the Signaling-active State of the Small GTPase Cdc42.
J.Biol.Chem., 283, 2008
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7F6V
 | | Cryo-EM structure of the human TACAN channel in a closed state | | Descriptor: | CHOLESTEROL, Ion channel TACAN | | Authors: | Chen, X.Z, Wang, Y.J, Li, Y, Yang, X, Shen, Y.Q. | | Deposit date: | 2021-06-25 | | Release date: | 2022-02-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Cryo-EM structure of the human TACAN in a closed state.
Cell Rep, 38, 2022
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9AX6
 | | Tricomplex of RMC-6236, KRAS G12D, and CypA | | Descriptor: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-03-05 | | Release date: | 2024-04-17 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
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9BFY
 | | Tri-complex of Compound-12, KRAS G12C, and CypA | | Descriptor: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-04-18 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
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9BG1
 | | Tri-complex of Compound-3, KRAS G12V, and CypA | | Descriptor: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-04-18 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
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4KK7
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4L4W
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4KV3
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4KV2
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7F9O
 | | PSI-NDH supercomplex of Barley | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Shen, J.R, Zhang, X. | | Deposit date: | 2021-07-04 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
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7EW6
 | | Barley photosystem I-LHCI-Lhca5 supercomplex | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | | Deposit date: | 2021-05-24 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
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7EU3
 | | Chloroplast NDH complex | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ... | | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | | Deposit date: | 2021-05-15 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
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7EWK
 | | Barley photosystem I-LHCI-Lhca6 supercomplex | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | | Deposit date: | 2021-05-25 | | Release date: | 2022-01-12 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
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