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3QK0
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BU of 3qk0 by Molmil
Crystal structure of PI3K-gamma in complex with benzothiazole 82
Descriptor: N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2011-01-31
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
3QJZ
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BU of 3qjz by Molmil
Crystal structure of PI3K-gamma in complex with benzothiazole 1
Descriptor: N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2011-01-31
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
2RQQ
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BU of 2rqq by Molmil
Structure of C-terminal region of Cdt1
Descriptor: DNA replication factor Cdt1
Authors:Jee, J.G, Mizuno, T, Kamada, K, Tochio, H, Hiroaki, H, Hanaoka, F, Shirakawa, M.
Deposit date:2009-10-14
Release date:2010-03-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure and mutagenesis studies of the C-terminal region of licensing factor Cdt1 enable the identification of key residues for binding to replicative helicase Mcm proteins
J.Biol.Chem., 285, 2010
1LAV
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BU of 1lav by Molmil
STABILIZATION OF ESCHERICHIA COLI RIBONUCLEASE HI BY CAVITY-FILLING MUTATIONS WITHIN A HYDROPHOBIC CORE
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Nakamura, H, Morikawa, K, Kanaya, S.
Deposit date:1993-05-10
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stabilization of Escherichia coli ribonuclease HI by cavity-filling mutations within a hydrophobic core.
Biochemistry, 32, 1993
1LAW
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BU of 1law by Molmil
STABILIZATION OF ESCHERICHIA COLI RIBONUCLEASE HI BY CAVITY-FILLING MUTATIONS WITHIN A HYDROPHOBIC CORE
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Nakamura, H, Morikawa, K, Kanaya, S.
Deposit date:1993-05-10
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stabilization of Escherichia coli ribonuclease HI by cavity-filling mutations within a hydrophobic core.
Biochemistry, 32, 1993
6LN1
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BU of 6ln1 by Molmil
A natural inhibitor of DYRK1A for treatment of diabetes mellitus
Descriptor: 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Li, H, Chen, L.X, Zheng, M.Z, Zhang, Q.Z, Zhang, C.L, Wu, C.R, Yang, K.Y, Song, Z.R, Wang, Q.Q, Li, C, Zhou, Y.R, Chen, J.C.
Deposit date:2019-12-28
Release date:2021-10-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes.
Clin Transl Med, 11, 2021
1RBS
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BU of 1rbs by Molmil
STRUCTURAL STUDY OF MUTANTS OF ESCHERICHIA COLI RIBONUCLEASE HI WITH ENHANCED THERMOSTABILITY
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Kimura, S, Kanaya, S, Morikawa, K, Nakamura, H.
Deposit date:1993-02-16
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural study of mutants of Escherichia coli ribonuclease HI with enhanced thermostability.
Protein Eng., 6, 1993
1RBV
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BU of 1rbv by Molmil
STRUCTURAL STUDY OF MUTANTS OF ESCHERICHIA COLI RIBONUCLEASE HI WITH ENHANCED THERMOSTABILITY
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Kimura, S, Kanaya, S, Morikawa, K, Nakamura, H.
Deposit date:1993-02-16
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural study of mutants of Escherichia coli ribonuclease HI with enhanced thermostability.
Protein Eng., 6, 1993
1RBU
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BU of 1rbu by Molmil
STRUCTURAL STUDY OF MUTANTS OF ESCHERICHIA COLI RIBONUCLEASE HI WITH ENHANCED THERMOSTABILITY
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Kimura, S, Kanaya, S, Morikawa, K, Nakamura, H.
Deposit date:1993-02-16
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural study of mutants of Escherichia coli ribonuclease HI with enhanced thermostability.
Protein Eng., 6, 1993
1RBR
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BU of 1rbr by Molmil
STRUCTURAL STUDY OF MUTANTS OF ESCHERICHIA COLI RIBONUCLEASE HI WITH ENHANCED THERMOSTABILITY
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Kimura, S, Kanaya, S, Morikawa, K, Nakamura, H.
Deposit date:1993-02-16
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural study of mutants of Escherichia coli ribonuclease HI with enhanced thermostability.
Protein Eng., 6, 1993
1RBT
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BU of 1rbt by Molmil
STRUCTURAL STUDY OF MUTANTS OF ESCHERICHIA COLI RIBONUCLEASE HI WITH ENHANCED THERMOSTABILITY
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Kimura, S, Kanaya, S, Morikawa, K, Nakamura, H.
Deposit date:1993-02-16
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural study of mutants of Escherichia coli ribonuclease HI with enhanced thermostability.
Protein Eng., 6, 1993
4RBX
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BU of 4rbx by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Glu21Arg mutant)
Descriptor: Defensin-5, SULFATE ION
Authors:Pazgier, M, Gohain, N, Tolbert, W.D.
Deposit date:2014-09-13
Release date:2015-07-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015
1GOA
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BU of 1goa by Molmil
COOPERATIVE STABILIZATION OF ESCHERICHIA COLI RIBONUCLEASE HI BY INSERTION OF GLY-80B AND GLY-77-> ALA SUBSTITUTION
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Kimura, S, Nakamura, H, Morikawa, K, Kanaya, S.
Deposit date:1993-05-10
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cooperative stabilization of Escherichia coli ribonuclease HI by insertion of Gly-80b and Gly-77-->Ala substitution.
Biochemistry, 32, 1993
1GOC
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BU of 1goc by Molmil
COOPERATIVE STABILIZATION OF ESCHERICHIA COLI RIBONUCLEASE HI BY INSERTION OF GLY-80B AND GLY-77-> ALA SUBSTITUTION
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Kimura, S, Nakamura, H, Morikawa, K, Kanaya, S.
Deposit date:1993-05-10
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cooperative stabilization of Escherichia coli ribonuclease HI by insertion of Gly-80b and Gly-77-->Ala substitution.
Biochemistry, 32, 1993
1GOB
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BU of 1gob by Molmil
COOPERATIVE STABILIZATION OF ESCHERICHIA COLI RIBONUCLEASE HI BY INSERTION OF GLY-80B AND GLY-77-> ALA SUBSTITUTION
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Kimura, S, Nakamura, H, Morikawa, K, Kanaya, S.
Deposit date:1993-05-10
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cooperative stabilization of Escherichia coli ribonuclease HI by insertion of Gly-80b and Gly-77-->Ala substitution.
Biochemistry, 32, 1993
7F65
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BU of 7f65 by Molmil
Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid
Descriptor: BENZOIC ACID, Cocaine esterase, SULFATE ION
Authors:Ouyang, P.F, Zhang, Y, Tong, J.
Deposit date:2021-06-24
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase.
Angew.Chem.Int.Ed.Engl., 60, 2021
7N29
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BU of 7n29 by Molmil
Structure of NAD kinase
Descriptor: NAD kinase 2, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Du, J, Estrella, M.A, Jeffrey, P.D, Korennykh, A.V.
Deposit date:2021-05-28
Release date:2022-05-04
Last modified:2022-06-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human NADK2 reveals atypical assembly and regulation of NAD kinases from animal mitochondria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PQV
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BU of 7pqv by Molmil
MEK1 IN COMPLEX WITH COMPOUND 7
Descriptor: 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Moebitz, H.
Deposit date:2021-09-20
Release date:2022-03-16
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action.
J.Med.Chem., 65, 2022
6NM5
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BU of 6nm5 by Molmil
F-pilus/MS2 Maturation protein complex
Descriptor: (2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate, Maturation protein, Type IV conjugative transfer system pilin TraA
Authors:Meng, R, Chang, J, Zhang, J.
Deposit date:2019-01-10
Release date:2019-07-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural basis for the adsorption of a single-stranded RNA bacteriophage.
Nat Commun, 10, 2019
6OP6
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BU of 6op6 by Molmil
Structure of VIM-20 in the reduced state
Descriptor: Metallo-beta-lactamase VIM-20, SODIUM ION, ZINC ION
Authors:Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C.
Deposit date:2019-04-24
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions.
Mbio, 10, 2019
6L5W
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BU of 6l5w by Molmil
Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Light (2 min)
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
Deposit date:2019-10-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L5X
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BU of 6l5x by Molmil
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Light (2 min)
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
Deposit date:2019-10-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L5V
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BU of 6l5v by Molmil
Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Light (2 min)
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
Deposit date:2019-10-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P8W
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BU of 6p8w by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
Descriptor: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-06-08
Release date:2019-08-28
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
6P8Y
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BU of 6p8y by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
Descriptor: 2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-06-08
Release date:2019-08-28
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019

224201

数据于2024-08-28公开中

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