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1QS2
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BU of 1qs2 by Molmil
CRYSTAL STRUCTURE OF VIP2 WITH NAD
分子名称: ADP-RIBOSYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Han, S, Craig, J.A, Putnam, C.D, Carozzi, N.B, Tainer, J.A.
登録日1999-06-25
公開日1999-12-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex.
Nat.Struct.Biol., 6, 1999
1DEG
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BU of 1deg by Molmil
THE LINKER OF DES-GLU84 CALMODULIN IS BENT AS SEEN IN THE CRYSTAL STRUCTURE
分子名称: CALCIUM ION, CALMODULIN
著者Raghunathan, S, Chandross, R, Cheng, B.P, Persechini, A, Sobottk, S.E, Kretsinger, R.H.
登録日1993-06-07
公開日1994-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The linker of des-Glu84-calmodulin is bent.
Proc.Natl.Acad.Sci.Usa, 90, 1993
4PJZ
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BU of 4pjz by Molmil
CRYSTAL STRUCTURE OF T4 LYSOZYME-GSS-PEPTIDE IN COMPLEX WITH TEICOPLANIN-A2-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ...
著者Han, S, Le, B.V, Hajare, H, Baxter, R.H.G, Miller, S.J.
登録日2014-05-13
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献X-ray Crystal Structure of Teicoplanin A2-2 Bound to a Catalytic Peptide Sequence via the Carrier Protein Strategy.
J.Org.Chem., 79, 2014
4PK0
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BU of 4pk0 by Molmil
CRYSTAL STRUCTURE OF T4 LYSOZYME-PEPTIDE IN COMPLEX WITH TEICOPLANIN-A2-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ...
著者Han, S, Le, B.V, Hajare, H, Baxter, R.H.G, Miller, S.J.
登録日2014-05-13
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray Crystal Structure of Teicoplanin A2-2 Bound to a Catalytic Peptide Sequence via the Carrier Protein Strategy.
J.Org.Chem., 79, 2014
4M14
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BU of 4m14 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Y
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BU of 4m0y by Molmil
Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M15
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BU of 4m15 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
分子名称: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M12
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BU of 4m12 by Molmil
Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Z
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BU of 4m0z by Molmil
Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}
分子名称: 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
3UE3
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BU of 3ue3 by Molmil
Crystal structure of Acinetobacter baumanni PBP3
分子名称: Septum formation, penicillin binding protein 3, peptidoglycan synthetase
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
4M13
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BU of 4m13 by Molmil
Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
2QLU
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BU of 2qlu by Molmil
Crystal structure of Activin receptor type II kinase domain from human
分子名称: ADENINE, Activin receptor type IIB, SULFATE ION
著者Han, S.
登録日2007-07-13
公開日2007-11-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of activin receptor type IIB kinase domain from human at 2.0 Angstrom resolution
Protein Sci., 16, 2007
5G04
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BU of 5g04 by Molmil
Structure of the human APC-Cdc20-Hsl1 complex
分子名称: ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ...
著者Zhang, S, Chang, L, Alfieri, C, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
登録日2016-03-16
公開日2016-05-25
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Molecular Mechanism of Apc/C Activation by Mitotic Phosphorylation.
Nature, 533, 2016
5G05
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BU of 5g05 by Molmil
Cryo-EM structure of combined apo phosphorylated APC
分子名称: ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ...
著者Zhang, S, Chang, L, Alfieri, C, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
登録日2016-03-16
公開日2016-05-25
最終更新日2019-09-11
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Molecular Mechanism of Apc/C Activation by Mitotic Phosphorylation.
Nature, 533, 2016
5WPI
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BU of 5wpi by Molmil
The virulence-associated protein HsvA from the fire blight pathogen Erwinia amylovora is a polyamine amidinotransferase
分子名称: 1,2-ETHANEDIOL, HsvA
著者Shanker, S, Lawton, J.
登録日2017-08-04
公開日2017-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The virulence-associated protein HsvA from the fire blight pathogen Erwinia amylovora is a polyamine amidinotransferase.
J. Biol. Chem., 292, 2017
7NAM
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BU of 7nam by Molmil
LRP6_E1 in complex with Lr-EET-3.5
分子名称: Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ...
著者Hansen, S, Hannoush, R.N.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
5IHW
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BU of 5ihw by Molmil
The crystal structure of SdrE from staphylococcus aureus
分子名称: Serine-aspartate repeat-containing protein E
著者Zhang, S, Wei, J, Wu, S, Zhang, X, Luo, M, Wang, D.
登録日2016-02-29
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The crystal structure of SdrE from staphylococcus aureus
To Be Published
6Q6H
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BU of 6q6h by Molmil
Cryo-EM structure of the APC/C-Cdc20-Cdk2-cyclinA2-Cks2 complex, the D2 box class
分子名称: Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, Anaphase-promoting complex subunit 13, ...
著者Zhang, S, Barford, D.
登録日2018-12-11
公開日2019-09-11
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cyclin A2 degradation during the spindle assembly checkpoint requires multiple binding modes to the APC/C.
Nat Commun, 10, 2019
6W8Z
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BU of 6w8z by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: Nonstructural polyprotein, methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
著者Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
登録日2020-03-21
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6W8Y
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BU of 6w8y by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein
著者Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
登録日2020-03-21
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6W91
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BU of 6w91 by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: Nonstructural polyprotein, methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate
著者Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
登録日2020-03-21
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
8J2Y
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BU of 8j2y by Molmil
Acidimicrobiaceae bacterium photocobilins protein, dark state
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, DI(HYDROXYETHYL)ETHER, ...
著者Zhang, S, Poddar, H, Levy, W.C, Leys, D.
登録日2023-04-15
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
8J2X
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BU of 8j2x by Molmil
Saccharothrix syringae photocobilins protein, light state
分子名称: BILIVERDINE IX ALPHA, COBALAMIN, Cobalamin-binding protein, ...
著者Zhang, S, Poddar, H, Levy, C, Leys, D.
登録日2023-04-15
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
8J2W
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BU of 8j2w by Molmil
Saccharothrix syringae photocobilins protein, dark state
分子名称: 1,4-DIETHYLENE DIOXIDE, 5'-DEOXYADENOSINE, BILIVERDINE IX ALPHA, ...
著者Zhang, S, Poddar, H, Levy, W.C, Leys, D.
登録日2023-04-15
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
3UGL
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BU of 3ugl by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
分子名称: PHOSPHATE ION, Proteine kinase C delta type, ZINC ION, ...
著者Shanmugasundararaj, S, Stehle, T, Miller, K.W.
登録日2011-11-02
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.357 Å)
主引用文献Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012

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