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6DZT
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BU of 6dzt by Molmil
Cryo-EM structure of nucleosome in complex with a single chain antibody fragment
Descriptor: DNA (147-MER), Histone H2A, Histone H2B, ...
Authors:Yadav, K.N.S, Zhou, B.-R.
Deposit date:2018-07-05
Release date:2019-05-22
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Atomic resolution cryo-EM structure of a native-like CENP-A nucleosome aided by an antibody fragment.
Nat Commun, 10, 2019
6E0C
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BU of 6e0c by Molmil
Cryo-EM structure of the CENP-A nucleosome (W601) in complex with a single chain antibody fragment
Descriptor: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Yadav, K.N.S, Zhou, B.-R.
Deposit date:2018-07-06
Release date:2019-05-22
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Atomic resolution cryo-EM structure of a native-like CENP-A nucleosome aided by an antibody fragment.
Nat Commun, 10, 2019
6DBX
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BU of 6dbx by Molmil
Cryo-EM structure of RAG in complex with 12-RSS substrate DNA
Descriptor: CALCIUM ION, Forward strand of 12-RSS substrate DNA, Recombination activating gene 1 - MBP chimera, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
6DBV
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BU of 6dbv by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs
Descriptor: CALCIUM ION, Forward strand of 12-RSS substrate DNA, Forward strand of 23-RSS substrate DNA, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.291 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
Descriptor: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
7PRV
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BU of 7prv by Molmil
The glucocorticoid receptor in complex with fluticasone furoate, a PGC1a coactivator fragment and sgk 23bp
Descriptor: (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate, 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*GP*TP*CP*GP*A)-3'), ...
Authors:Postel, S, Edman, K, Wissler, L.
Deposit date:2021-09-22
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication.
Nat.Struct.Mol.Biol., 30, 2023
7PRX
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BU of 7prx by Molmil
wildtype ligand binding domain of the glucocorticoid receptor complexed with velsecorat and a PGC1a coactivator fragment
Descriptor: Glucocorticoid receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Velsecorat
Authors:Edman, K, Wissler, L, Koehler, C, Postel, S.
Deposit date:2021-09-22
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication.
Nat.Struct.Mol.Biol., 30, 2023
7PRW
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BU of 7prw by Molmil
The glucocorticoid receptor in complex with velsecorat, a PGC1a coactivator fragment and sgk 23bp
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*TP*AP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*GP*TP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*CP*GP*GP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*TP*GP*TP*AP*C)-3'), ...
Authors:Postel, S, Edman, K, Wissler, L.
Deposit date:2021-09-22
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication.
Nat.Struct.Mol.Biol., 30, 2023
6YNU
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BU of 6ynu by Molmil
CaM-P458 complex (crystal form 1)
Descriptor: Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1
Authors:Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A.
Deposit date:2020-04-14
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells.
Adv Sci, 8, 2021
6YNS
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BU of 6yns by Molmil
CaM-P458 complex (crystal form 2)
Descriptor: Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1
Authors:Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A.
Deposit date:2020-04-14
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.94 Å)
Cite:A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells.
Adv Sci, 8, 2021
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
Descriptor: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
1LQJ
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BU of 1lqj by Molmil
ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE
Descriptor: URACIL-DNA GLYCOSYLASE
Authors:Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Varshney, U, Vijayan, M.
Deposit date:2002-05-10
Release date:2002-11-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG.
Acta Crystallogr.,Sect.D, 58, 2002
2QN1
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BU of 2qn1 by Molmil
Glycogen Phosphorylase b in complex with asiatic acid
Descriptor: Glycogen phosphorylase, muscle form, asiatic acid
Authors:Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
Deposit date:2007-07-17
Release date:2008-06-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
1GSU
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BU of 1gsu by Molmil
AN AVIAN CLASS-MU GLUTATHIONE S-TRANSFERASE, CGSTM1-1 AT 1.94 ANGSTROM RESOLUTION
Descriptor: CLASS-MU GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
Authors:Sun, Y.-J, Kuan, C, Tam, M.F, Hsiao, C.-D.
Deposit date:1997-09-02
Release date:1998-03-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The three-dimensional structure of an avian class-mu glutathione S-transferase, cGSTM1-1 at 1.94 A resolution.
J.Mol.Biol., 278, 1998
7CX4
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BU of 7cx4 by Molmil
Cryo-EM structure of the Evatanepag-bound EP2-Gs complex
Descriptor: 2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid, 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:Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y.
Deposit date:2020-09-01
Release date:2021-05-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype.
Sci Adv, 7, 2021
7CX3
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BU of 7cx3 by Molmil
Cryo-EM structure of the Taprenepag-bound EP2-Gs complex
Descriptor: 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid, 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:Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y.
Deposit date:2020-09-01
Release date:2021-05-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype.
Sci Adv, 7, 2021
7CX2
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BU of 7cx2 by Molmil
Cryo-EM structure of the PGE2-bound EP2-Gs complex
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, 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:Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y.
Deposit date:2020-09-01
Release date:2021-05-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype.
Sci Adv, 7, 2021
6A85
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BU of 6a85 by Molmil
Crystal structure of a novel DNA quadruplex
Descriptor: AMMONIUM ION, DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*GP*GP*GP*TP*GP*CP*GP*TP*T)-3'), LEAD (II) ION, ...
Authors:Liu, H.H, Gan, J.H.
Deposit date:2018-07-06
Release date:2019-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-resolution DNA quadruplex structure containing all the A-, G-, C-, T-tetrads.
Nucleic Acids Res., 46, 2018
6O3R
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BU of 6o3r by Molmil
Crystal Structure of NDM-1 D199N with Compound 7
Descriptor: Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Authors:Akhtar, A, Chen, Y.
Deposit date:2019-02-27
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6NY7
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BU of 6ny7 by Molmil
Crystal Structure of NDM-1 D199N with Compound 16
Descriptor: Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Authors:Akhtar, A, Chen, Y.
Deposit date:2019-02-11
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
2QN2
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BU of 2qn2 by Molmil
Glycogen Phosphorylase b in complex with Maslinic Acid
Descriptor: Glycogen phosphorylase, muscle form, maslinic acid
Authors:Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
Deposit date:2007-07-17
Release date:2008-06-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
8TEC
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BU of 8tec by Molmil
Crystal structure of Kindlin2 in complex with acylated beta1 integrin peptide
Descriptor: Fermitin family homolog 2, Integrin beta-1
Authors:Zhang, P.F, Wu, J.H.
Deposit date:2023-07-06
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Acetyl-NPKY of integrin-beta 1 binds KINDLIN2 to control endothelial cell proliferation and junctional integrity.
Iscience, 27, 2024
8TEE
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BU of 8tee by Molmil
Crystal structure of Kindlin2 in complex with K794Q mutated beta1 integrin
Descriptor: Fermitin family homolog 2, Integrin beta-1
Authors:Zhang, P.F, Wu, J.H.
Deposit date:2023-07-06
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Acetyl-NPKY of integrin-beta 1 binds KINDLIN2 to control endothelial cell proliferation and junctional integrity.
Iscience, 27, 2024
6N9A
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BU of 6n9a by Molmil
Crystal Structure of Thermotoga maritima threonylcarbamoyladenosine biosynthesis complex TsaB2D2E2 bound to ATP and carboxy-AMP
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 5'-O-[(R)-(carboxyoxy)(hydroxy)phosphoryl]adenosine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Swairjo, M.A, Stec, B.
Deposit date:2018-12-01
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational communication mediates the reset step in t6A biosynthesis.
Nucleic Acids Res., 47, 2019
6O5C
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BU of 6o5c by Molmil
X-ray crystal structure of metal-dependent transcriptional regulator MtsR
Descriptor: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Putative metal-dependent transcriptional regulator
Authors:Do, H, Kumaraswami, M.
Deposit date:2019-03-01
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Metal sensing and regulation of adaptive responses to manganese limitation by MtsR is critical for group A streptococcus virulence.
Nucleic Acids Res., 47, 2019

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數據於2024-07-24公開中

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