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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
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
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
8BUB
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BU of 8bub by Molmil
Structure of DDB1 bound to dCeMM4-engaged CDK12-cyclin K
Descriptor: CITRIC ACID, 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 (3.42 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUL
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BU of 8bul by Molmil
Structure of DDB1 bound to DS11-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, 1,2-ETHANEDIOL, 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 (3.4 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
8BUQ
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BU of 8buq by Molmil
Structure of DDB1 bound to DS43-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, CITRIC ACID, Cyclin-K, ...
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 (3.2 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUC
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BU of 8buc by Molmil
Structure of DDB1 bound to dCeMM3-engaged CDK12-cyclin K
Descriptor: 2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide, CITRIC ACID, Cyclin-K, ...
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 (3.85 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU5
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BU of 8bu5 by Molmil
Structure of DDB1 bound to SR-4835-engaged CDK12-cyclin K
Descriptor: CITRIC ACID, 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 (3.134 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUT
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BU of 8but by Molmil
Structure of DDB1 bound to DS61-engaged CDK12-cyclin K
Descriptor: 2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
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 (3.25 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUS
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BU of 8bus by Molmil
Structure of DDB1 bound to DS59-engaged CDK12-cyclin K
Descriptor: 1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide, Cyclin-K, Cyclin-dependent kinase 12, ...
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 (3.26 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUH
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BU of 8buh by Molmil
Structure of DDB1 bound to WX3-engaged CDK12-cyclin K
Descriptor: 6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one, Cyclin-K, Cyclin-dependent kinase 12, ...
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 (3.79 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUD
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BU of 8bud by Molmil
Structure of DDB1 bound to Z7-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
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 (3.2 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUE
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BU of 8bue by Molmil
Structure of DDB1 bound to Z11-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
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 (3.25 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUG
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BU of 8bug by Molmil
Structure of DDB1 bound to HQ461-engaged CDK12-cyclin K
Descriptor: 2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide, CITRIC ACID, Cyclin-K, ...
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 (3.53 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
6ZXI
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BU of 6zxi by Molmil
Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CARBON DIOXIDE, ...
Authors:Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
Deposit date:2020-07-29
Release date:2021-08-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of ANT3310 , a Novel Broad-Spectrum Serine beta-Lactamase Inhibitor of the Diazabicyclooctane Class, Which Strongly Potentiates Meropenem Activity against Carbapenem-Resistant Enterobacterales and Acinetobacter baumannii.
J.Med.Chem., 63, 2020
5ZBH
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BU of 5zbh by Molmil
The Crystal Structure of Human Neuropeptide Y Y1 Receptor with BMS-193885
Descriptor: Neuropeptide Y receptor type 1,T4 Lysozyme,Neuropeptide Y receptor type 1, dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Authors:Yang, Z, Han, S, Zhao, Q, Wu, B.
Deposit date:2018-02-11
Release date:2018-04-25
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
8DYT
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BU of 8dyt by Molmil
Cryo-EM structure of 227 Fab in complex with (NPNA)8 peptide
Descriptor: 227 Fab heavy chain, 227 Fab light chain, Circumsporozoite protein
Authors:Martin, G.M, Ward, A.B.
Deposit date:2022-08-05
Release date:2023-08-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection.
Nat Commun, 14, 2023
8DYW
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BU of 8dyw by Molmil
Cryo-EM structure of 239 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP)
Descriptor: 239 Fab heavy chain, 239 Fab light chain, Circumsporozoite protein
Authors:Martin, G.M, Ward, A.B.
Deposit date:2022-08-05
Release date:2023-08-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection.
Nat Commun, 14, 2023
8DYY
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BU of 8dyy by Molmil
Cryo-EM structure of 334 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP)
Descriptor: 334 Fab heavy chain, 334 Fab light chain, Circumsporozoite protein
Authors:Martin, G.M, Ward, A.B.
Deposit date:2022-08-05
Release date:2023-08-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection.
Nat Commun, 14, 2023
8DZ3
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BU of 8dz3 by Molmil
Cryo-EM structure of 337 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP)
Descriptor: 337 Fab heavy chain, 337 Fab light chain, Circumsporozoite protein
Authors:Martin, G.M, Ward, A.B.
Deposit date:2022-08-06
Release date:2023-08-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection.
Nat Commun, 14, 2023
8DZ5
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BU of 8dz5 by Molmil
Cryo-EM structure of 364 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP)
Descriptor: 364 Fab heavy chain, 364 Fab light chain, Circumsporozoite protein
Authors:Martin, G.M, Ward, A.B.
Deposit date:2022-08-06
Release date:2023-08-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection.
Nat Commun, 14, 2023
8DYX
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BU of 8dyx by Molmil
Cryo-EM structure of 311 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP)
Descriptor: 311 heavy chain, 311 light chain, Circumsporozoite protein
Authors:Martin, G.M, Ward, A.B.
Deposit date:2022-08-05
Release date:2023-08-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection.
Nat Commun, 14, 2023
8DZ4
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BU of 8dz4 by Molmil
Cryo-EM structure of 356 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP)
Descriptor: 356 Fab heavy chain, 356 Fab light chain, Circumsporozoite protein
Authors:Martin, G.M, Ward, A.B.
Deposit date:2022-08-06
Release date:2023-08-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection.
Nat Commun, 14, 2023
8EKF
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BU of 8ekf by Molmil
X-ray crystal structure of 311R Fab in complex with the PfCSP peptide NPNA-3
Descriptor: 311R Heavy Chain, 311R Light Chain, PfCSP peptide NPNA-3
Authors:Moskovitz, R, Wilson, I.A.
Deposit date:2022-09-20
Release date:2022-10-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection.
Nat Commun, 14, 2023

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数据于2024-06-26公开中

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