7D4U
 
 | | ATP complex with double mutant cyclic trinucleotide synthase CdnD | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-AMP-GMP synthase | | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | | Deposit date: | 2020-09-24 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase.
Nucleic Acids Res., 49, 2021
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7D4S
 | | apo-form cyclic trinucleotide synthase CdnD | | Descriptor: | Cyclic AMP-AMP-GMP synthase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION | | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | | Deposit date: | 2020-09-24 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase.
Nucleic Acids Res., 49, 2021
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7D4J
 | | ddATP complex of cyclic trinucleotide synthase CdnD | | Descriptor: | 2',3'-dideoxyadenosine triphosphate, Cyclic AMP-AMP-GMP synthase, MAGNESIUM ION | | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | | Deposit date: | 2020-09-24 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase.
Nucleic Acids Res., 49, 2021
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7D4O
 | | cyclic trinucleotide synthase CdnD in complex with ATP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-AMP-GMP synthase, ... | | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | | Deposit date: | 2020-09-24 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase.
Nucleic Acids Res., 49, 2021
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7D48
 | | apo-form cyclic trinucleotide synthase CdnD | | Descriptor: | Cyclic AMP-AMP-GMP synthase, SODIUM ION | | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | | Deposit date: | 2020-09-23 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase.
Nucleic Acids Res., 49, 2021
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7NTF
 | | Cryo-EM structure of unliganded O-GlcNAc transferase | | Descriptor: | Isoform 1 of UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Meek, R.W, Blaza, J.N, Davies, G.J. | | Deposit date: | 2021-03-09 | | Release date: | 2021-11-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (5.32 Å) | | Cite: | Cryo-EM structure provides insights into the dimer arrangement of the O-linked beta-N-acetylglucosamine transferase OGT.
Nat Commun, 12, 2021
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7QXN
 | | Proteasome-ZFAND5 Complex Z+A state | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-26 | | Release date: | 2023-02-08 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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7QXX
 | | Proteasome-ZFAND5 Complex Z+E state | | Descriptor: | 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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7QYB
 | | Proteasome-ZFAND5 Complex Z-C state | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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7QY7
 | | Proteasome-ZFAND5 Complex Z-A state | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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7QXP
 | | Proteasome-ZFAND5 Complex Z+B state | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-26 | | Release date: | 2023-02-08 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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7QXU
 | | Proteasome-ZFAND5 Complex Z+C state | | Descriptor: | 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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7QXW
 | | Proteasome-ZFAND5 Complex Z+D state | | Descriptor: | 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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7QYA
 | | Proteasome-ZFAND5 Complex Z-B state | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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4IDK
 | | HIV-1 reverse transcriptase with bound fragment at the 428 site | | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Bauman, J.D, Patel, D, Arnold, E. | | Deposit date: | 2012-12-12 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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6Z6P
 | | HDAC-PC-Nuc | | Descriptor: | DNA (145-MER), HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, ... | | Authors: | Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R. | | Deposit date: | 2020-05-28 | | Release date: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (4.43 Å) | | Cite: | Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies.
Sci Adv, 7, 2021
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7P15
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7OZW
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4IFV
 | | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening | | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, Exoribonuclease H, ... | | Authors: | Bauman, J.D, Patel, D, Fromer, M, Arnold, E. | | Deposit date: | 2012-12-15 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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4ICL
 | | HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site | | Descriptor: | 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Bauman, J.D, Patel, D, Arnold, E. | | Deposit date: | 2012-12-10 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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4IG0
 | | HIV-1 reverse transcriptase with bound fragment at the 507 site | | Descriptor: | 2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one, DIMETHYL SULFOXIDE, P51 RT, ... | | Authors: | Bauman, J.D, Patel, D, Arnold, E. | | Deposit date: | 2012-12-15 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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4IG3
 | | HIV-1 reverse transcriptase with bound fragment near Knuckles site | | Descriptor: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Bauman, J.D, Patel, D, Arnold, E. | | Deposit date: | 2012-12-15 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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4IFY
 | | HIV-1 reverse transcriptase with bound fragment at the Knuckles site | | Descriptor: | 1-[4-(trifluoromethoxy)phenyl]methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Bauman, J.D, Patel, D, Arnold, E. | | Deposit date: | 2012-12-15 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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6M9L
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | | Descriptor: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | | Authors: | Lane, W, Okada, K. | | Deposit date: | 2018-08-23 | | Release date: | 2019-04-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
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6M95
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | | Descriptor: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | | Authors: | Lane, W, Okada, K. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
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