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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
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
8CF2
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BU of 8cf2 by Molmil
Solution structure of the RNA helix formed by the 5'-end of U1 snRNA and an A-1 bulged 5'-splice site in complex with SMN-CY
Descriptor: 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide, RNA (5'-R(P*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3')
Authors:Malard, F, Marquevielle, J, Campagne, S.
Deposit date:2023-02-02
Release date:2024-02-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The diversity of splicing modifiers acting on A-1 bulged 5'-splice sites reveals rules for rational drug design.
Nucleic Acids Res., 52, 2024
6WLK
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BU of 6wlk by Molmil
Apo ATP-TTR-3 models, 10.0 Angstrom resolution
Descriptor: RNA (130-MER)
Authors:Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R.
Deposit date:2020-04-20
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
8C7Y
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BU of 8c7y by Molmil
Crystal structure of BRAF V600E in complex with a hybrid compound 6
Descriptor: 1,2-ETHANEDIOL, NITRATE ION, Serine/threonine-protein kinase B-raf, ...
Authors:Chaikuad, A, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-01-17
Release date:2023-02-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Eur.J.Med.Chem., 250, 2023
8C7X
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BU of 8c7x by Molmil
Crystal structure of BRAF in complex with a hybrid compound 6
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Serine/threonine-protein kinase B-raf, ...
Authors:Chaikuad, A, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-01-17
Release date:2023-02-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Eur.J.Med.Chem., 250, 2023
6X5Z
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BU of 6x5z by Molmil
Bovine Cardiac Myosin in Complex with Chicken Skeletal Actin and Human Cardiac Tropomyosin in the Rigor State
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Doran, M.H, Lehman, W, Rynkiewicz, M.J, Bullitt, E.
Deposit date:2020-05-27
Release date:2020-07-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Cryo-EM and Molecular Docking Shows Myosin Loop 4 Contacts Actin and Tropomyosin on Thin Filaments.
Biophys.J., 119, 2020
8BUM
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BU of 8bum by Molmil
Structure of DDB1 bound to DS15-engaged CDK12-cyclin K
Descriptor: (2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-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:2023-09-20
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8EEG
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BU of 8eeg by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to dopamine
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, L-DOPAMINE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8BU7
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BU of 8bu7 by Molmil
Structure of DDB1 bound to 21195-engaged CDK12-cyclin K
Descriptor: 1,2-ETHANEDIOL, 1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one, 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 (3.245 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUN
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BU of 8bun by Molmil
Structure of DDB1 bound to DS16-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[(4-phenylphenyl)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 (3.08 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
5YJS
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BU of 5yjs by Molmil
Structure of vicilin from Capsicum annuum
Descriptor: 2-HYDROXYBENZOIC ACID, CHLORIDE ION, COPPER (I) ION, ...
Authors:Shikhi, M, Nair, D.T, Salunke, D.M.
Deposit date:2017-10-11
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure-guided identification of function: role ofCapsicum annuumvicilin during oxidative stress.
Biochem. J., 475, 2018
6GRM
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BU of 6grm by Molmil
Structure of GFPmut2 crystallized at pH 6 and transferred to pH 9
Descriptor: Green fluorescent protein
Authors:Lolli, G, Raboni, S, Pasqualetto, E, Campanini, B, Mozzarelli, A, Bettati, S, Battistutta, R.
Deposit date:2018-06-11
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insight into GFPmut2 pH Dependence by Single Crystal Microspectrophotometry and X-ray Crystallography.
J.Phys.Chem.B, 122, 2018
8C46
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BU of 8c46 by Molmil
N-Carbamoyl-beta-Alanine Amidohydrolases from Rhizobium radiobacter MDC 8606
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, N-carbamoyl-beta-alanine amidohydrolase, ZINC ION
Authors:Basle, A, Marles-Wright, J.
Deposit date:2023-01-02
Release date:2023-09-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biochemical characterisation of the N-carbamoyl-beta-alanine amidohydrolase from Rhizobium radiobacter MDC 8606.
Febs J., 290, 2023
8H25
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BU of 8h25 by Molmil
Lacticaseibacillus casei GH35 beta-galactosidase LBCZ_0230
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-galactosidase, DI(HYDROXYETHYL)ETHER, ...
Authors:Saburi, W, Ota, T, Kato, K, Tagami, T, Yamashita, K, Yao, M, Mori, H.
Deposit date:2022-10-04
Release date:2023-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Function and Structure of Lacticaseibacillus casei GH35 beta-Galactosidase LBCZ_0230 with High Hydrolytic Activity to Lacto- N -biose I and Galacto- N -biose.
J Appl Glycosci (1999), 70, 2023
8EEH
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BU of 8eeh by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to tryptamine
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEF
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BU of 8eef by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to octopamine
Descriptor: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, Amine oxidase, ...
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEN
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BU of 8een by Molmil
C. ammoniagenes monoamine oxidase (MAO) C424S variant
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEJ
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BU of 8eej by Molmil
C. ammoniagenes monoamine oxidase (MAO) C424S variant bound to dopamine
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, L-DOPAMINE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEI
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BU of 8eei by Molmil
Unbound C. ammoniagenes monoamine oxidase (MAO)
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEL
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BU of 8eel by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to 5-aminopentanol
Descriptor: 5-aminopentan-1-ol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
4TPV
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BU of 4tpv by Molmil
Crystal Structure of Hookworm Platelet Inhibitor
Descriptor: GLYCEROL, Platelet inhibitor
Authors:Andersen, J.F, Ma, D, Francischetti, I.
Deposit date:2014-06-09
Release date:2015-04-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure of hookworm platelet inhibitor (HPI), a CAP superfamily member from Ancylostoma caninum.
Acta Crystallogr.,Sect.F, 71, 2015
8F0Q
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BU of 8f0q by Molmil
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the acylsulfonamide inhibitor GDC-0310
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide, ...
Authors:Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C.
Deposit date:2022-11-03
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023

225399

数据于2024-09-25公开中

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