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7C5J
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Crystal Structure of C150A mutant of Glyceraldehyde-3-phosphate dehydrogenase1 from Escherichia coli at 1.98 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
7C5O
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Crystal Structure of H177A mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli complexed with NAD at 1.98 Angstrom resolution.
Descriptor: CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
7C5M
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Crystal Structure of C150A+H177A mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli complexed with G3P at 1.8 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, GLYCERALDEHYDE-3-PHOSPHATE, ...
Authors:Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
6X2S
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BU of 6x2s by Molmil
Crystal Structure of Mek1(NQ)NES peptide bound to CRM
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2M
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Crystal Structure of unliganded CRM1-Ran-RanBP1
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2P
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BU of 6x2p by Molmil
Crystal Structure of the Mek1NES peptide bound to CRM1
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2J
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BU of 6x2j by Molmil
Structure of human TRPA1 in complex with agonist GNE551
Descriptor: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, Transient receptor potential cation channel subfamily A member 1
Authors:Rohou, A, Rouge, L, Chen, H.
Deposit date:2020-05-20
Release date:2020-11-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel.
Neuron, 109, 2021
6Z3J
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BU of 6z3j by Molmil
Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) (crystal form 1)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Z2Z
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BU of 6z2z by Molmil
M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 2a conjugate
Descriptor: Cellular retinoic acid-binding protein 2, methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2020-05-19
Release date:2021-06-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Xanthopsin-Like Systems via Site-Specific Click-Functionalization of a Retinoic Acid Binding Protein.
Chembiochem, 23, 2022
6Z36
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BU of 6z36 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2020-05-19
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
To Be Published
6X19
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BU of 6x19 by Molmil
Non peptide agonist CHU-128, bound to Glucagon-Like peptide-1 (GLP-1) Receptor
Descriptor: 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Belousoff, M.J, Zhang, X, Danev, R.
Deposit date:2020-05-18
Release date:2020-09-09
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists.
Mol.Cell, 80, 2020
7C4Z
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BU of 7c4z by Molmil
Cryo-EM structure of empty Coxsackievirus A10 at pH 5.5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Cui, Y, Peng, R, Song, H, Tong, Z, Gao, G.F, Qi, J.
Deposit date:2020-05-18
Release date:2020-07-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis of Coxsackievirus A10 entry using the two-in-one attachment and uncoating receptor KRM1.
Proc.Natl.Acad.Sci.USA, 117, 2020
6X1G
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BU of 6x1g by Molmil
Crystal structure of a GEF domain from the Orientia tsutsugamushi protein OtDUB in complex with Rac1
Descriptor: MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1, ULP_PROTEASE domain-containing protein
Authors:Lim, C.S, Xiong, Y.
Deposit date:2020-05-18
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a guanine nucleotide exchange factor encoded by the scrub typhus pathogen Orientia tsutsugamushi .
Proc.Natl.Acad.Sci.USA, 117, 2020
6Z2U
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BU of 6z2u by Molmil
M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II
Descriptor: Cellular retinoic acid-binding protein 2
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2020-05-18
Release date:2021-06-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Xanthopsin-Like Systems via Site-Specific Click-Functionalization of a Retinoic Acid Binding Protein.
Chembiochem, 23, 2022
6Z2S
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BU of 6z2s by Molmil
Crystal structure of adhibin analogue-bound myosin-2
Descriptor: 3,6-dibromo-1-(hydroxymethyl)carbazole, ACETATE ION, ADP METAVANADATE, ...
Authors:Ewert, W, Knoelker, H.-J, Tsiavaliaris, G, Preller, M.
Deposit date:2020-05-18
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The synthetic carbazole adhibin acts as selective myosin class-IX inhibitor in lung cancer cells
To Be Published
6X18
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BU of 6x18 by Molmil
GLP-1 peptide hormone bound to Glucagon-Like peptide-1 (GLP-1) Receptor
Descriptor: Glucagon, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Belousoff, M.J, Zhang, X, Danev, R.
Deposit date:2020-05-18
Release date:2020-09-09
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists.
Mol.Cell, 80, 2020
7C4Y
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BU of 7c4y by Molmil
Cryo-EM structure of empty Coxsackievirus A10 at pH 7.4
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Cui, Y, Peng, R, Song, H, Tong, Z, Gao, G.F, Qi, J.
Deposit date:2020-05-18
Release date:2020-07-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular basis of Coxsackievirus A10 entry using the two-in-one attachment and uncoating receptor KRM1.
Proc.Natl.Acad.Sci.USA, 117, 2020
7C4J
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BU of 7c4j by Molmil
Cryo-EM structure of the yeast Swi/Snf complex in a nucleosome free state
Descriptor: Actin-like protein ARP9, Actin-related protein 7, Regulator of Ty1 transposition protein 102, ...
Authors:Wang, C.C, Guo, Z.Y, Zhan, X.C, Zhang, X.F.
Deposit date:2020-05-18
Release date:2020-07-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure of the yeast Swi/Snf complex in a nucleosome free state
Nat Commun, 2020
6Z2V
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BU of 6z2v by Molmil
CLK3 A319V mutant bound with beta-carboline KH-CARB13 (Cpd 3)
Descriptor: (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ...
Authors:Schroeder, M, Chaikuad, A, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-18
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
7C4T
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BU of 7c4t by Molmil
Cryo-EM structure of A particle Coxsackievirus A10 at pH 7.4
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Cui, Y, Peng, R, Song, H, Tong, Z, Gao, G.F, Qi, J.
Deposit date:2020-05-18
Release date:2020-07-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular basis of Coxsackievirus A10 entry using the two-in-one attachment and uncoating receptor KRM1.
Proc.Natl.Acad.Sci.USA, 117, 2020
7C4W
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BU of 7c4w by Molmil
Cryo-EM structure of A particle Coxsackievirus A10 at pH 5.5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Cui, Y, Peng, R, Song, H, Tong, Z, Gao, G.F, Qi, J.
Deposit date:2020-05-18
Release date:2020-07-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis of Coxsackievirus A10 entry using the two-in-one attachment and uncoating receptor KRM1.
Proc.Natl.Acad.Sci.USA, 117, 2020
6X1C
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BU of 6x1c by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5j
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1F
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BU of 6x1f by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5m
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1E
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BU of 6x1e by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5l
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
7C4S
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BU of 7c4s by Molmil
Sphingosine-1-phosphate receptor 3 with a natural ligand.
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
Authors:Iwata, S, Maeda, S, Luo, F, Nango, E, hirata, K, Asada, H.
Deposit date:2020-05-18
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Endogenous agonist-bound S1PR3 structure reveals determinants of G protein-subtype bias.
Sci Adv, 7, 2021

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