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8FYA
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Cryo-EM structure of Cas1:Cas2-DEDDh:PAM-containing prespacer complex
分子名称: Cas1, Cas2-DEDDh, DNA (28-MER), ...
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FY9
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Cryo-EM structure of Cas1:Cas2-DEDDh:PAM-deficient prespacer complex
分子名称: Cas1, Cas2-DEDDh, DNA (28-MER)
著者Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
登録日2023-01-25
公開日2023-05-03
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FY8
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5-MeO-DMT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex
分子名称: 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D.
登録日2023-01-25
公開日2024-05-15
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
8FY7
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SARS-CoV-2 main protease in complex with covalent inhibitor
分子名称: 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
著者Fried, W, Chen, X.S.
登録日2023-01-25
公開日2023-08-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8FY6
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SARS-CoV-2 main protease in complex with covalent inhibitor
分子名称: 3C-like proteinase nsp5, Nirmatrelvir (reacted form)
著者Fried, W, Chen, X.S.
登録日2023-01-25
公開日2023-08-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8FY2
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E3:PROTAC:target ternary complex structure (VCB/WH244/BCL-2)
分子名称: Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ...
著者Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Ruben, E, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K.
登録日2023-01-25
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
8FY1
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E3:PROTAC:target ternary complex structure (VCB/753b/BCL-2)
分子名称: Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ...
著者Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K.
登録日2023-01-25
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
8FY0
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E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL)
分子名称: Bcl-2-like protein 1, CACODYLIC ACID, Elongin-B, ...
著者Olsen, S.K, Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D.
登録日2023-01-25
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
8FXT
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Escherichia coli periplasmic Glucose-Binding Protein glucose complex: Acrylodan conjugate attached at W183C
分子名称: 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one, CALCIUM ION, D-galactose/methyl-galactoside binding periplasmic protein MglB, ...
著者Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W.
登録日2023-01-25
公開日2023-08-30
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Commun Chem, 6, 2023
8FXO
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Bromodomain of CBP liganded with iCBP8
分子名称: (6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, CREB-binding protein
著者Schonbrunn, E, Bikowitz, M.
登録日2023-01-25
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8FXJ
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Crystal structure of Fab460
分子名称: ACETATE ION, CHLORIDE ION, Fab460, ...
著者Tan, K, Kim, M, Reinherz, E.L.
登録日2023-01-24
公開日2023-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
8FXE
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Bromodomain of CBP liganded with iCBP6
分子名称: (6S)-1-(3-tert-butylphenyl)-6-{(5P)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
著者Schonbrunn, E, Bikowitz, M.
登録日2023-01-24
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8FXA
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Bromodomain of CBP liganded with iCBP4
分子名称: (6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
著者Schonbrunn, E, Bikowitz, M.
登録日2023-01-24
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8FX7
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Non-ribosomal PCP-C didomain (ester stabilised leucine) acceptor bound state
分子名称: 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate, PCP-C didomain
著者Ho, Y.T.C, Cryle, M.J.
登録日2023-01-24
公開日2023-06-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8FX6
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Non-ribosomal PCP-C didomain (amide stabilised leucine) acceptor bound state
分子名称: N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide, PCP-C didomain
著者Ho, Y.T.C, Cryle, M.J.
登録日2023-01-24
公開日2023-06-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8FX5
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Human M4 muscarinic acetylcholine receptor complex with Gi1 and xanomeline
分子名称: Antibody fragment scFv16, 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, ...
著者Vuckovic, Z, Mobbs, J.I, Glukhova, A, Sexton, P.M, Danev, R, Thal, D.M.
登録日2023-01-23
公開日2023-09-13
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Xanomeline displays concomitant orthosteric and allosteric binding modes at the M 4 mAChR.
Nat Commun, 14, 2023
8FX3
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-GP, showing the structure of the complete active site in its open conformation
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER
著者Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FX2
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-HP
分子名称: (1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase
著者Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FX1
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to (R)-SerMe-ImmH Phosphonate
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
著者Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FX0
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to (S)-SerMe-ImmH Phosphonate
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
著者Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FWZ
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Hydroxypropyl-Lin-ImmH Phosphonate
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, [(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid
著者Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FWY
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to the dead-end complex xanthine and pyrophosphate
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, XANTHINE
著者Hughes, R, Meneely, K.M, Glockzin, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
登録日2023-01-23
公開日2023-07-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FWX
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Apo crystal structure of beluga whale Gammacoronavirus SW1 Mpro
分子名称: DI(HYDROXYETHYL)ETHER, Main Protease, SULFATE ION
著者Ornelas, E, Knapp, M.S.
登録日2023-01-23
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8FWW
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Structure of the ligand-binding and transmembrane domains of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344 and noncompetitive inhibitor perampanel
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
登録日2023-01-23
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Cell Rep, 42, 2023
8FWV
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Structure of the amino-terminal domain of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344 and noncompetitive inhibitor perampanel
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
著者Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
登録日2023-01-23
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Cell Rep, 42, 2023

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件を2024-07-10に公開中

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