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7ZZ2
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BU of 7zz2 by Molmil
Cryo-EM structure of "CT pyr" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA
分子名称: MAGNESIUM ION, MANGANESE (II) ION, PYRUVIC ACID, ...
著者Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M.
登録日2022-05-25
公開日2022-10-12
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase.
Nat Commun, 13, 2022
7ZZ0
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BU of 7zz0 by Molmil
Cryo-EM structure of "CT empty" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA
分子名称: MAGNESIUM ION, MANGANESE (II) ION, Pyruvate carboxylase
著者Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M.
登録日2022-05-25
公開日2022-10-12
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (2.26 Å)
主引用文献CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase.
Nat Commun, 13, 2022
7ZZ4
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BU of 7zz4 by Molmil
Cryo-EM structure of "BC closed" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA
分子名称: ACETYL COENZYME *A, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M.
登録日2022-05-25
公開日2022-10-12
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase.
Nat Commun, 13, 2022
7ZYY
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BU of 7zyy by Molmil
Cryo-EM structure of Lactococcus lactis pyruvate carboxylase with acetyl-CoA
分子名称: ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, ...
著者Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M.
登録日2022-05-25
公開日2022-10-12
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.12 Å)
主引用文献CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase.
Nat Commun, 13, 2022
7ZZ6
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BU of 7zz6 by Molmil
Cryo-EM structure of "CT-CT dimer" of Lactococcus lactis pyruvate carboxylase with acetyl-CoA
分子名称: MAGNESIUM ION, MANGANESE (II) ION, PYRUVIC ACID, ...
著者Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M.
登録日2022-05-25
公開日2022-12-28
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.15 Å)
主引用文献CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase.
Nat Commun, 13, 2022
3M7Q
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BU of 3m7q by Molmil
Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean sea anemone stichodactyla helianthus in complex with bovine pancreatic trypsin
分子名称: Cationic trypsin, Kunitz-type proteinase inhibitor SHPI-1, PHOSPHATE ION
著者Garcia-Fernandez, R, Redecke, L, Pons, T, Perbandt, M, Gil, D, Talavera, A, Gonzalez, Y, de los angeles Chavez, M, Betzel, C.
登録日2010-03-17
公開日2011-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into serine protease inhibition by a marine invertebrate BPTI Kunitz-type inhibitor.
J.Struct.Biol., 180, 2012
5L57
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BU of 5l57 by Molmil
Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a)
分子名称: (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Levy, C.
登録日2016-05-28
公開日2016-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
6X9I
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BU of 6x9i by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
著者Pathuri, S, Horton, J.R, Cheng, X.
登録日2020-06-02
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
6X9K
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BU of 6x9k by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A
分子名称: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ...
著者Pathuri, S, Horton, J.R, Cheng, X.
登録日2020-06-02
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
6X9J
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BU of 6x9j by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
著者Pathuri, S, Horton, J.R, Cheng, X.
登録日2020-06-02
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
6COX
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BU of 6cox by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558 IN I222 SPACE GROUP
分子名称: 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, ...
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
1CX2
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BU of 1cx2 by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558
分子名称: 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, ...
著者Kurumbail, R, Stallings, W.
登録日1996-12-17
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
3IFN
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BU of 3ifn by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-40:12A11) complex
分子名称: 12A11 FAB antibody heavy chain, 12A11 FAB antibody light chain, Amyloid beta A4 protein
著者Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
登録日2009-07-24
公開日2009-11-17
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
3IFO
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BU of 3ifo by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-7:10D5) complex
分子名称: 10D5 FAB antibody heavy chain, 10D5 FAB antibody light chain, Amyloid beta A4 protein
著者Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
登録日2009-07-24
公開日2009-11-17
最終更新日2013-09-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
3IFP
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BU of 3ifp by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12B4) complex
分子名称: 12B4 FAB antibody heavy chain, 12B4 FAB antibody light chain, Amyloid beta A4 protein
著者Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
登録日2009-07-24
公開日2009-11-17
最終更新日2013-09-25
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
3IFL
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BU of 3ifl by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12A11) complex
分子名称: 12A11 FAB antibody heavy chain, 12A11 FAB antibody light chain, Amyloid beta A4 protein
著者Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
登録日2009-07-24
公開日2009-11-17
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
5COX
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BU of 5cox by Molmil
UNINHIBITED MOUSE CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, PROTOPORPHYRIN IX CONTAINING FE
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
8BUF
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BU of 8buf by Molmil
Structure of DDB1 bound to Z12-engaged CDK12-cyclin K
分子名称: 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, ...
著者Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献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
分子名称: (2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
著者Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献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
分子名称: (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, ...
著者Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献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
分子名称: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
著者Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献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
分子名称: (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, ...
著者Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (3.58 Å)
主引用文献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
分子名称: (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, ...
著者Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献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
分子名称: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
著者Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献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
分子名称: (2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, CITRIC ACID, Cyclin-K, ...
著者Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
登録日2022-11-30
公開日2023-09-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024

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