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9EPP
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BU of 9epp by Molmil
Cryo-EM Structure of Jumping Spider Rhodopsin-1 bound to a Giq heterotrimer
Descriptor: 11,20-Ethanoretinal, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Tejero, O, Pamula, F, Koyanagi, M, Nagata, T, Afanasyev, P, Das, I, Deupi, X, Sheves, M, Terakita, A, Schertler, G.F.X, Rodrigues, M.J, Tsai, C.-J.
Deposit date:2024-03-19
Release date:2024-10-23
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.06 Å)
Cite:Active state structures of a bistable visual opsin bound to G proteins.
Nat Commun, 15, 2024
9EP8
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BU of 9ep8 by Molmil
Crystal structure of ROCK2 in complex with a 8-(azaindolyl)-benzoazepinone inhibitor
Descriptor: 1,2-ETHANEDIOL, 8-(azaindolyl)-benzoazepinone, Rho-associated protein kinase 2
Authors:Pala, D, Clark, D, Pioselli, B, Accetta, A, Rancati, F.
Deposit date:2024-03-18
Release date:2024-09-25
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Design and synthesis of novel 8-(azaindolyl)-benzoazepinones as potent and selective ROCK inhibitors.
Rsc Med Chem, 2024
9B37
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BU of 9b37 by Molmil
Open state of kainate receptor GluK2 in complex with agonist glutamate and positive allosteric modulator BPAM344 bound to one concanavalin A dimer. Composite map.
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I.
Deposit date:2024-03-18
Release date:2024-05-22
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (6.66 Å)
Cite:Kainate receptor channel opening and gating mechanism.
Nature, 630, 2024
9B35
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BU of 9b35 by Molmil
Ligand-binding and transmembrane domains of kainate receptor GluK2 in the open state, a complex with agonist glutamate and positive allosteric modulator BPAM344
Descriptor: GLUTAMIC ACID, Glutamate receptor ionotropic, kainate 2
Authors:Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I.
Deposit date:2024-03-18
Release date:2024-05-22
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Kainate receptor channel opening and gating mechanism.
Nature, 630, 2024
9B38
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BU of 9b38 by Molmil
Kainate receptor GluK2 in complex with agonist glutamate with pseudo 4-fold symmetrical ligand-binding domain layer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I.
Deposit date:2024-03-18
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Kainate receptor channel opening and gating mechanism.
Nature, 630, 2024
9B39
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BU of 9b39 by Molmil
Kainate receptor GluK2 in complex with agonist glutamate with asymmetric ligand-binding domain layer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I.
Deposit date:2024-03-18
Release date:2024-05-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Kainate receptor channel opening and gating mechanism.
Nature, 630, 2024
9B36
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BU of 9b36 by Molmil
Open state of kainate receptor GluK2 in complex with agonist glutamate and positive allosteric modulator BPAM344 bound to two concanavalin A dimers. Composite map.
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I.
Deposit date:2024-03-18
Release date:2024-05-22
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.29 Å)
Cite:Kainate receptor channel opening and gating mechanism.
Nature, 630, 2024
9EOJ
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BU of 9eoj by Molmil
Vertebrate microtubule-capping gamma-tubulin ring complex
Descriptor: Gamma-tubulin complex component, Gamma-tubulin complex component 3 homolog, Gamma-tubulin complex component 6, ...
Authors:Vermeulen, B.J.A, Pfeffer, S.
Deposit date:2024-03-15
Release date:2024-04-17
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (17 Å)
Cite:gamma-TuRC asymmetry induces local protofilament mismatch at the RanGTP-stimulated microtubule minus end.
Embo J., 43, 2024
9B2H
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BU of 9b2h by Molmil
HIV-1 wild type protease with GRL-072-17A, a substituted tetrahydrofuran derivative based on Darunavir as P2 group
Descriptor: 2,5:6,9-dianhydro-1,3,7,8-tetradeoxy-4-O-({(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamoyl)-L-gluco-nonitol, CHLORIDE ION, FORMIC ACID, ...
Authors:Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T.
Deposit date:2024-03-15
Release date:2024-07-24
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Design of substituted tetrahydrofuran derivatives for HIV-1 protease inhibitors: synthesis, biological evaluation, and X-ray structural studies.
Org.Biomol.Chem., 22, 2024
9EO8
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BU of 9eo8 by Molmil
X-ray structure of the adduct formed upon reaction of picoplatin with bovine pancreatic ribonuclease (structure D)
Descriptor: AMMONIA, CHLORIDE ION, PLATINUM (II) ION, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2024-03-14
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Picoplatin binding to proteins: X-ray structures and mass spectrometry data on the adducts with lysozyme and ribonuclease A.
Dalton Trans, 53, 2024
9EO2
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BU of 9eo2 by Molmil
X-ray structure of the adduct formed upon reaction of picoplatin with lysozyme (structure B)
Descriptor: ACETATE ION, GLYCEROL, Lysozyme C, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2024-03-14
Release date:2024-05-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Picoplatin binding to proteins: X-ray structures and mass spectrometry data on the adducts with lysozyme and ribonuclease A.
Dalton Trans, 53, 2024
9ENZ
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BU of 9enz by Molmil
X-ray structure of the adduct formed upon reaction of picoplatin with lysozyme (structure A)
Descriptor: ACETATE ION, AMMONIA, Lysozyme C, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2024-03-14
Release date:2024-05-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Picoplatin binding to proteins: X-ray structures and mass spectrometry data on the adducts with lysozyme and ribonuclease A.
Dalton Trans, 53, 2024
9EO5
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BU of 9eo5 by Molmil
X-ray structure of the adduct formed upon reaction of picoplatin with bovine pancreatic ribonuclease (structure C)
Descriptor: AMMONIA, PLATINUM (II) ION, Ribonuclease pancreatic
Authors:Ferraro, G, Merlino, A.
Deposit date:2024-03-14
Release date:2024-05-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Picoplatin binding to proteins: X-ray structures and mass spectrometry data on the adducts with lysozyme and ribonuclease A.
Dalton Trans, 53, 2024
8YOY
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BU of 8yoy by Molmil
Structure of HKU1A RBD with TMPRSS2
Descriptor: Spike protein S1, Transmembrane protease serine 2
Authors:Gao, X, Cui, S, Ding, W, Shang, K, Zhu, H, Zhu, K.
Deposit date:2024-03-14
Release date:2024-08-28
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural basis for the interaction between human coronavirus HKU1 spike receptor binding domain and its receptor TMPRSS2.
Cell Discov, 10, 2024
9B27
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BU of 9b27 by Molmil
Dia1 at the Barbed End of F-Actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Palmer, N.J, Barrie, K.R, Dominguez, R.
Deposit date:2024-03-14
Release date:2024-05-29
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Mechanisms of actin filament severing and elongation by formins.
Nature, 632, 2024
9B1D
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BU of 9b1d by Molmil
Cryo-EM structure of native SWR1 bound to DNA (composite structure)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-like protein ARP6, DNA (147-MER), ...
Authors:Louder, R.K, Park, G, Wu, C.
Deposit date:2024-03-13
Release date:2024-10-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis of global promoter sensing and nucleosome capture by the SWR1 chromatin remodeler.
Cell, 2024
9B1E
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BU of 9b1e by Molmil
Cryo-EM structure of native SWR1 bound to nucleosome (composite structure)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-like protein ARP6, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Louder, R.K, Park, G, Wu, C.
Deposit date:2024-03-13
Release date:2024-10-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Molecular basis of global promoter sensing and nucleosome capture by the SWR1 chromatin remodeler.
Cell, 2024
9END
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BU of 9end by Molmil
Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 3
Descriptor: CHLORIDE ION, Malate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Coquille, S, Roche, J, Girard, E, Madern, D.
Deposit date:2024-03-12
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme.
To be published
9B0K
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BU of 9b0k by Molmil
INF2 in the Middle of F-Actin (Down state)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Palmer, N.J, Barrie, K.R, Dominguez, R.
Deposit date:2024-03-12
Release date:2024-05-29
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Mechanisms of actin filament severing and elongation by formins.
Nature, 632, 2024
9AZI
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BU of 9azi by Molmil
NMR solution structure of cell-permeant miniature protein ZF5.3
Descriptor: Designed Zinc finger protein 5.3, ZINC ION
Authors:Giudice, J.A, Kelly, M, Schepartz, A.
Deposit date:2024-03-11
Release date:2024-05-01
Method:SOLUTION NMR
Cite:Structural and mechanistic basis for efficient endosomal escape by designed mini-proteins
To be published
9AZQ
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BU of 9azq by Molmil
INF2 at the Barbed End of F-Actin with Incoming Actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Palmer, N.J, Barrie, K.R, Dominguez, R.
Deposit date:2024-03-11
Release date:2024-05-29
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Mechanisms of actin filament severing and elongation by formins.
Nature, 632, 2024
9B03
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BU of 9b03 by Molmil
INF2 in the Middle of F-Actin (Up state)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Palmer, N.J, Barrie, K.R, Dominguez, R.
Deposit date:2024-03-11
Release date:2024-05-29
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Mechanisms of actin filament severing and elongation by formins.
Nature, 632, 2024
9AZP
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BU of 9azp by Molmil
INF2 at the Barbed End of F-Actin with Incoming Profilin-Actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Palmer, N.J, Barrie, K.R, Dominguez, R.
Deposit date:2024-03-11
Release date:2024-05-29
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Mechanisms of actin filament severing and elongation by formins.
Nature, 632, 2024
9AZL
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BU of 9azl by Molmil
Cryo-EM structure of the ABC transporter PCAT1 bound with MgADP class1
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ABC-type bacteriocin transporter, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S.
Deposit date:2024-03-11
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
9AZK
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BU of 9azk by Molmil
Macrocyclic inhibitors targeting the prime site of the fibrinolytic serine protease plasmin
Descriptor: (1r,4S)-4-(aminomethyl)-N-[(24S)-5-methyl-8,11,16,23-tetraoxo-7,10,15,22-tetraazatetracyclo[24.2.2.2~18,21~.1~2,6~]tritriaconta-1(28),2(33),3,5,18,20,26,29,31-nonaen-24-yl]cyclohexane-1-carboxamide, Plasminogen
Authors:Guojie, W.
Deposit date:2024-03-11
Release date:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Macrocyclic inhibitors targeting the prime site of the fibrinolytic serine protease plasmin
To Be Published

227344

数据于2024-11-13公开中

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