8DXG
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![BU of 8dxg by Molmil](/molmil-images/mine/8dxg) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-(trifluoromethyl)pyridin-2-ol at W24 site | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, 5-(trifluoromethyl)pyridin-2-one, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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7RLH
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![BU of 7rlh by Molmil](/molmil-images/mine/7rlh) | Cryo-EM structure of human p97-D592N mutant bound to ATPgS. | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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7RLG
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![BU of 7rlg by Molmil](/molmil-images/mine/7rlg) | Cryo-EM structure of human p97-D592N mutant bound to ADP. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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7RLC
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![BU of 7rlc by Molmil](/molmil-images/mine/7rlc) | Cryo-EM structure of human p97-A232E mutant bound to ATPgS. | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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8DXL
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![BU of 8dxl by Molmil](/molmil-images/mine/8dxl) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-iodopyrazole at multiple sites | Descriptor: | 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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7RB7
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![BU of 7rb7 by Molmil](/molmil-images/mine/7rb7) | Room temperature structure of hAChE in complex with substrate analog 4K-TMA and MMB4 oxime | Descriptor: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase | Authors: | Kovalevsky, A, Gerlits, O, Radic, Z. | Deposit date: | 2021-07-05 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure Curr Res Struct Biol, 3, 2021
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8DX2
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![BU of 8dx2 by Molmil](/molmil-images/mine/8dx2) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-amino-3-bromopyridine at multiple sites | Descriptor: | 1,2-ETHANEDIOL, 3-bromopyridin-4-amine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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7RL9
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![BU of 7rl9 by Molmil](/molmil-images/mine/7rl9) | Cryo-EM structure of human p97-R191Q mutant bound to ADP. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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7RLA
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![BU of 7rla by Molmil](/molmil-images/mine/7rla) | Cryo-EM structure of human p97-R191Q mutant bound to ATPgS. | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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7RB6
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![BU of 7rb6 by Molmil](/molmil-images/mine/7rb6) | Low temperature structure of hAChE in complex with substrate analog 4K-TMA | Descriptor: | 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase, GLYCEROL, ... | Authors: | Kovalevsky, A, Gerlits, O, Radic, Z. | Deposit date: | 2021-07-05 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure Curr Res Struct Biol, 3, 2021
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8DX3
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![BU of 8dx3 by Molmil](/molmil-images/mine/8dx3) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 3-bromobenzylamine in the thumb subdomain | Descriptor: | 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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7RL6
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![BU of 7rl6 by Molmil](/molmil-images/mine/7rl6) | Cryo-EM structure of human p97-R155H mutant bound to ADP. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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7RLB
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![BU of 7rlb by Molmil](/molmil-images/mine/7rlb) | Cryo-EM structure of human p97-A232E mutant bound to ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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8DXE
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![BU of 8dxe by Molmil](/molmil-images/mine/8dxe) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 2-amino-6-fluorobenzonitrile at the NNRTI adjacent site | Descriptor: | 1,2-ETHANEDIOL, 2-amino-6-fluorobenzonitrile, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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7RB5
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![BU of 7rb5 by Molmil](/molmil-images/mine/7rb5) | Room temperature structure of hAChE in complex with substrate analog 4K-TMA | Descriptor: | 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase | Authors: | Kovalevsky, A, Gerlits, O, Radic, Z. | Deposit date: | 2021-07-05 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure Curr Res Struct Biol, 3, 2021
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8TBG
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![BU of 8tbg by Molmil](/molmil-images/mine/8tbg) | Tricomplex of RMC-7977, HRAS WT, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase HRas, ... | Authors: | Chen, A, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8DXJ
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![BU of 8dxj by Molmil](/molmil-images/mine/8dxj) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine at the NNRTI adjacent site | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8TBJ
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![BU of 8tbj by Molmil](/molmil-images/mine/8tbj) | Tricomplex of RMC-7977, KRAS G12A, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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7RL7
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![BU of 7rl7 by Molmil](/molmil-images/mine/7rl7) | Cryo-EM structure of human p97-R155H mutant bound to ATPgS. | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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7RLF
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![BU of 7rlf by Molmil](/molmil-images/mine/7rlf) | Cryo-EM structure of human p97-E470D mutant bound to ATPgS. | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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7RLJ
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![BU of 7rlj by Molmil](/molmil-images/mine/7rlj) | Cryo-EM structure of human p97 bound to CB-5083 and ATPgS. | Descriptor: | 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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8TBK
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![BU of 8tbk by Molmil](/molmil-images/mine/8tbk) | Tricomplex of RMC-7977, KRAS G12C, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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7RLD
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![BU of 7rld by Molmil](/molmil-images/mine/7rld) | Cryo-EM structure of human p97-E470D mutant bound to ADP. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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8TBI
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![BU of 8tbi by Molmil](/molmil-images/mine/8tbi) | Tricomplex of RMC-7977, NRAS WT, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase NRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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7RLI
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![BU of 7rli by Molmil](/molmil-images/mine/7rli) | Cryo-EM structure of human p97 bound to CB-5083 and ADP. | Descriptor: | 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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