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8TBV
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BU of 8tbv by Molmil
Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) neoantigen KLSHQLVLL
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M.
登録日2023-06-29
公開日2024-01-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Accurate modeling of peptide-MHC structures with AlphaFold.
Structure, 32, 2024
7UK2
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BU of 7uk2 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390
分子名称: Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ...
著者Erdogan, F, Seo, H.-S, Dhe-Paganon, S.
登録日2022-03-31
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma.
Pharmaceuticals, 15, 2022
8TIX
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BU of 8tix by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Tuning Chemical DNA Ligation within DNA Crystals and Protein-DNA Cocrystals.
Acs Nanosci Au, 4, 2024
8TIR
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BU of 8tir by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Tuning Chemical DNA Ligation within DNA Crystals and Protein-DNA Cocrystals.
Acs Nanosci Au, 4, 2024
8TIU
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BU of 8tiu by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 3' terminal phosphates.
分子名称: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*A)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Tuning Chemical DNA Ligation within DNA Crystals and Protein-DNA Cocrystals.
Acs Nanosci Au, 4, 2024
8TIP
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BU of 8tip by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 5' terminal phosphates.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(A*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Tuning Chemical DNA Ligation within DNA Crystals and Protein-DNA Cocrystals.
Acs Nanosci Au, 4, 2024
8TIW
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BU of 8tiw by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 3' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3', DNA (5'-D(*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Tuning Chemical DNA Ligation within DNA Crystals and Protein-DNA Cocrystals.
Acs Nanosci Au, 4, 2024
8TIV
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BU of 8tiv by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 5' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(A*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Tuning Chemical DNA Ligation within DNA Crystals and Protein-DNA Cocrystals.
Acs Nanosci Au, 4, 2024
8TIY
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BU of 8tiy by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 3' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), DNA(5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-')|, MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Tuning Chemical DNA Ligation within DNA Crystals and Protein-DNA Cocrystals.
Acs Nanosci Au, 4, 2024
8TJ1
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BU of 8tj1 by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 3' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*A)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Tuning Chemical DNA Ligation within DNA Crystals and Protein-DNA Cocrystals.
Acs Nanosci Au, 4, 2024
8TIT
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BU of 8tit by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and no terminal phosphates.
分子名称: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Tuning Chemical DNA Ligation within DNA Crystals and Protein-DNA Cocrystals.
Acs Nanosci Au, 4, 2024
8TIZ
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BU of 8tiz by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and no terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Tuning Chemical DNA Ligation within DNA Crystals and Protein-DNA Cocrystals.
Acs Nanosci Au, 4, 2024
8TJ0
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BU of 8tj0 by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 5' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Tuning Chemical DNA Ligation within DNA Crystals and Protein-DNA Cocrystals.
Acs Nanosci Au, 4, 2024
7UXY
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BU of 7uxy by Molmil
Isoreticular, interpenetrating co-crystal of protein variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*P*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*P*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Snow, C.D.
登録日2022-05-06
公開日2023-05-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
9C3G
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BU of 9c3g by Molmil
human cGAS core domain (K427E/K428E) bound to Cladophorol A
分子名称: Cyclic GMP-AMP synthase, ZINC ION, cladophorol A
著者Kissai, M, Stanfield, R.L, Lairson, L.L.
登録日2024-05-31
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Cladophorol-A is an inhibitor of cyclic GMP-AMP synthase.
Bioorg.Med.Chem.Lett., 115, 2025
9B9P
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BU of 9b9p by Molmil
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+, and JK-5-114
分子名称: 6-hydroxy-2-phenyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION
著者Kurz, J.L, Lin, X, Guddat, L.W.
登録日2024-04-03
公開日2025-04-09
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献A Ketol-Acid Reductoisomerase Inhibitor That Has Antituberculosis and Herbicidal Activity.
Chemistry, 31, 2025
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
分子名称: Choline trimethylamine-lyase, difluorocholine
著者Kalnins, G.
登録日2024-04-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CutC choline lyase in complex with difluorocholine
To Be Published
9F3X
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BU of 9f3x by Molmil
CutC choline lyase in complex with cyclopropylcholine
分子名称: Choline trimethylamine-lyase, cyclopropylcholine
著者Kalnins, G.
登録日2024-04-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CutC choline lyase in complex with fluoromethylcholine
To Be Published
9EU3
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BU of 9eu3 by Molmil
GH29A alpha-L-fucosidase
分子名称: Alpha-L-fucosidase, CHLORIDE ION, ZINC ION, ...
著者Yang, Y.Y, Zeuner, B, Morth, J.P.
登録日2024-03-27
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural elucidation and characterization of GH29A alpha-l-fucosidases and the effect of pH on their transglycosylation.
Febs J., 292, 2025
6TX4
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BU of 6tx4 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
分子名称: 1~{H}-pyridin-2-one, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
9GBF
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BU of 9gbf by Molmil
X-RAY structure of PHDvC5HCH tandem domain of NSD2
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone-lysine N-methyltransferase NSD2, ...
著者Musco, G, Cocomazzi, P, Berardi, A, Knapp, S, Kramer, A.
登録日2024-07-31
公開日2024-12-18
最終更新日2025-01-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The C-terminal PHDVC5HCH tandem domain of NSD2 is a combinatorial reader of unmodified H3K4 and tri-methylated H3K27 that regulates transcription of cell adhesion genes in multiple myeloma.
Nucleic Acids Res., 53, 2025
9GFY
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BU of 9gfy by Molmil
Endothiapepsin in complex with pepstatin soaked at pH 7.6
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ...
著者Mueller, J.M, Glinca, S.
登録日2024-08-12
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Protonation Effects in Protein-Ligand Complexes - A Case Study of Endothiapepsin and Pepstatin A with Computational and Experimental Methods.
Chemmedchem, 20, 2025
9G6U
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BU of 9g6u by Molmil
p53-Y220C Core Domain Covalently Bound to 3,5-Dichloro-6-Ethylpyrazine-2-carbonitirle Soaked at 5 mM
分子名称: 1,2-ETHANEDIOL, 3,5-bis(chloranyl)-6-ethyl-pyrazine-2-carbonitrile, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Stahlecker, J, Klett, T, Stehle, T, Boeckler, F.M.
登録日2024-07-19
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献SNAr Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes
Drug Des Devel Ther, 2025
9G6T
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BU of 9g6t by Molmil
p53-Y220C Core Domain Covalently Bound to 5-Chloro-6-methylpyrazine-2-carbonitrile Soaked at 5 mM
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-chloranyl-6-methyl-pyrazine-2-carbonitrile, ...
著者Stahlecker, J, Klett, T, Stehle, T, Boeckler, F.M.
登録日2024-07-19
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献SNAr Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes
Drug Des Devel Ther, 2025
9H3I
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BU of 9h3i by Molmil
trans-aconitate decarboxylase Tad1- wild type
分子名称: Trans-aconitate decarboxylase 1
著者Zheng, L, Bang, G.
登録日2024-10-16
公開日2025-03-19
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Mechanistic and structural insights into the itaconate-producing trans -aconitate decarboxylase Tad1.
Pnas Nexus, 4, 2025

238582

件を2025-07-09に公開中

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