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8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
Descriptor: (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
8FCT
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BU of 8fct by Molmil
Cryo-EM structure of p97:UBXD1 lariat mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
Authors:Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
Deposit date:2022-12-01
Release date:2023-06-21
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FCP
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BU of 8fcp by Molmil
Cryo-EM structure of p97:UBXD1 para state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
Authors:Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
Deposit date:2022-12-01
Release date:2023-06-21
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FD1
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BU of 8fd1 by Molmil
Crystal structure of photoactivated rhodopsin in complex with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ...
Authors:Salom, D, Palczewski, K, Kiser, P.D.
Deposit date:2022-12-01
Release date:2023-08-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain.
Nat Commun, 14, 2023
8FD0
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BU of 8fd0 by Molmil
Crystal structure of bovine rod opsin in complex with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ...
Authors:Salom, D, Palczewski, K, Kiser, P.D.
Deposit date:2022-12-01
Release date:2023-08-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.71 Å)
Cite:Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain.
Nat Commun, 14, 2023
8FCZ
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BU of 8fcz by Molmil
Crystal structure of ground-state rhodopsin in complex with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ...
Authors:Salom, D, Palczewski, K, Kiser, P.D.
Deposit date:2022-12-01
Release date:2023-08-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain.
Nat Commun, 14, 2023
8FCA
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BU of 8fca by Molmil
Cryo-EM structure of the human TRPV4 - RhoA in complex with 4alpha-Phorbol 12,13-didecanoate
Descriptor: (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily V member 4
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
8FCB
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BU of 8fcb by Molmil
Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ...
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
8FCO
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BU of 8fco by Molmil
Cryo-EM structure of p97:UBXD1 meta state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
Authors:Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
Deposit date:2022-12-01
Release date:2023-06-21
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FCL
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BU of 8fcl by Molmil
Cryo-EM structure of p97:UBXD1 closed state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
Authors:Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
Deposit date:2022-12-01
Release date:2023-06-21
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FCR
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BU of 8fcr by Molmil
Cryo-EM structure of p97:UBXD1 H4-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
Authors:Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
Deposit date:2022-12-01
Release date:2023-06-21
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FC7
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BU of 8fc7 by Molmil
Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK2798745
Descriptor: 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
8FC9
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BU of 8fc9 by Molmil
Cryo-EM structure of the human TRPV4 - RhoA, apo condition
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA, ...
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
8FCQ
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BU of 8fcq by Molmil
Cryo-EM structure of p97:UBXD1 PUB-in state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
Authors:Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
Deposit date:2022-12-01
Release date:2023-06-21
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FCM
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BU of 8fcm by Molmil
Cryo-EM structure of p97:UBXD1 open state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
Authors:Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
Deposit date:2022-12-01
Release date:2023-06-21
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8FC8
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BU of 8fc8 by Molmil
Cryo-EM structure of the human TRPV4 in complex with GSK1016790A
Descriptor: CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
8BUF
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BU of 8buf by Molmil
Structure of DDB1 bound to Z12-engaged CDK12-cyclin K
Descriptor: 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUJ
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BU of 8buj by Molmil
Structure of DDB1 bound to DS06-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU1
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BU of 8bu1 by Molmil
Structure of DDB1 bound to DS17-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU9
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BU of 8bu9 by Molmil
Structure of DDB1 bound to roscovitine-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUO
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BU of 8buo by Molmil
Structure of DDB1 bound to DS24-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUP
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BU of 8bup by Molmil
Structure of DDB1 bound to DS30-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU6
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BU of 8bu6 by Molmil
Structure of DDB1 bound to DS55-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUK
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BU of 8buk by Molmil
Structure of DDB1 bound to DS08-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, CITRIC ACID, Cyclin-K, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU3
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BU of 8bu3 by Molmil
Structure of DDB1 bound to DS19-engaged CDK12-cyclin K
Descriptor: 1,2-ETHANEDIOL, 2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine, Cyclin-K, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024

222415

数据于2024-07-10公开中

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