7D4U
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![BU of 7d4u by Molmil](/molmil-images/mine/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
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![BU of 7d4s by Molmil](/molmil-images/mine/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
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![BU of 7d4j by Molmil](/molmil-images/mine/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
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![BU of 7d4o by Molmil](/molmil-images/mine/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
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![BU of 7d48 by Molmil](/molmil-images/mine/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
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![BU of 7ntf by Molmil](/molmil-images/mine/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
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![BU of 7qxn by Molmil](/molmil-images/mine/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
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![BU of 7qxx by Molmil](/molmil-images/mine/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
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![BU of 7qyb by Molmil](/molmil-images/mine/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
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![BU of 7qy7 by Molmil](/molmil-images/mine/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
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![BU of 7qxp by Molmil](/molmil-images/mine/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
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![BU of 7qxu by Molmil](/molmil-images/mine/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
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![BU of 7qxw by Molmil](/molmil-images/mine/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
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![BU of 7qya by Molmil](/molmil-images/mine/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
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![BU of 4idk by Molmil](/molmil-images/mine/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
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![BU of 6z6p by Molmil](/molmil-images/mine/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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![BU of 7p15 by Molmil](/molmil-images/mine/7p15) | |
7OZW
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![BU of 7ozw by Molmil](/molmil-images/mine/7ozw) | |
4IFV
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![BU of 4ifv by Molmil](/molmil-images/mine/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
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![BU of 4icl by Molmil](/molmil-images/mine/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
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![BU of 4ig0 by Molmil](/molmil-images/mine/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
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![BU of 4ig3 by Molmil](/molmil-images/mine/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
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![BU of 4ify by Molmil](/molmil-images/mine/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
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![BU of 6m9l by Molmil](/molmil-images/mine/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
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![BU of 6m95 by Molmil](/molmil-images/mine/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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