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3TMP
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BU of 3tmp by Molmil
The catalytic domain of human deubiquitinase DUBA in complex with ubiquitin aldehyde
分子名称: OTU domain-containing protein 5, Polyubiquitin-C
著者Ma, X, Yin, J, Hymowitz, S, Starovasnik, M, Cochran, A.
登録日2011-08-31
公開日2012-01-11
最終更新日2012-02-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
3TMO
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BU of 3tmo by Molmil
The catalytic domain of human deubiquitinase DUBA
分子名称: OTU domain-containing protein 5
著者Yin, J, Bosanac, I, Ma, X, Hymowitz, S, Starovasnik, M, Cochran, A.
登録日2011-08-31
公開日2012-01-11
最終更新日2012-02-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
1CTJ
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BU of 1ctj by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME C6
分子名称: CYTOCHROME C6, PROTOPORPHYRIN IX CONTAINING FE
著者Sheldrick, G.M.
登録日1995-08-08
公開日1996-06-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Ab initio determination of the crystal structure of cytochrome c6 and comparison with plastocyanin.
Structure, 3, 1995
2YDI
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BU of 2ydi by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
分子名称: 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2011-03-21
公開日2012-04-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
6VCC
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BU of 6vcc by Molmil
Cryo-EM structure of the Dvl2 DIX filament
分子名称: Segment polarity protein dishevelled homolog DVL-2
著者Enos, M, Kan, W, Muennich, S, Chen, D.H, Skiniotis, G, Weis, W.I.
登録日2019-12-20
公開日2020-04-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Limited Dishevelled/Axin oligomerization determines efficiency of Wnt/ beta-catenin signal transduction.
Elife, 9, 2020
1E29
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BU of 1e29 by Molmil
PSII associated cytochrome C549 from Synechocystis sp.
分子名称: CALCIUM ION, CYTOCHROME C549, HEME C
著者Frazao, C, Enguita, F.J, Coelho, R, Sheldrick, G.M.
登録日2000-05-19
公開日2001-05-04
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Crystal Structure of Low-Potential Cytochrome C549 from Synechocystis Sp. Pcc 6803 at 1.21A Resolution
J.Biol.Inorg.Chem., 6, 2001
3ESZ
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BU of 3esz by Molmil
K2AK3A Flavodoxin from Anabaena
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, GLYCEROL, ...
著者Herguedas, B, Martinez-Julvez, M, Hermoso, J, Goni, G, Medina, M.
登録日2008-10-06
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
3ESX
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BU of 3esx by Molmil
E16KE61KD126KD150K Flavodoxin from Anabaena
分子名称: CALCIUM ION, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Herguedas, B, Hermoso, J.A, Martinez-Julvez, M, Goni, G, Medina, M.
登録日2008-10-06
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
3ESY
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BU of 3esy by Molmil
E16KE61K Flavodoxin from Anabaena
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL
著者Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Goni, G, Medina, M.
登録日2008-10-06
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
8JB0
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BU of 8jb0 by Molmil
Cryo-EM structure of Holo form of ScBfr in C1 symmetry
分子名称: Bacterioferritin, FE (II) ION
著者Jobichen, C, Sivaraman, J.
登録日2023-05-07
公開日2023-08-02
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Bacterioferritin nanocage structures uncover the biomineralization process in ferritins.
Pnas Nexus, 2, 2023
8JAX
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BU of 8jax by Molmil
Cryo-EM structure of Holo form of ScBfr with O symmetry
分子名称: Bacterioferritin, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE
著者Jobichen, C, Sivaraman, J.
登録日2023-05-07
公開日2023-08-02
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Bacterioferritin nanocage structures uncover the biomineralization process in ferritins.
Pnas Nexus, 2, 2023
2YDJ
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BU of 2ydj by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
分子名称: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2011-03-22
公開日2012-01-25
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2YDK
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BU of 2ydk by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
分子名称: 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2011-03-22
公開日2012-04-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
7PU6
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BU of 7pu6 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF OCTYL 4-NITROPHENYL HEXYLPHOSPHONATE
分子名称: Esterase, GLYCEROL, hexyl(octoxy)phosphinic acid
著者Cea Rama, I, Sanz-Aparicio, J.
登録日2021-09-28
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
7ZUR
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BU of 7zur by Molmil
Four carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
分子名称: 16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION
著者Bazzicalupi, C, Ferraroni, M, Gratteri, P, Papi, F.
登録日2022-05-13
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
7PP3
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BU of 7pp3 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY)
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Esterase, ...
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2021-09-13
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
7PP8
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BU of 7pp8 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE
分子名称: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ...
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2021-09-13
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
8AAD
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BU of 8aad by Molmil
Two carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
分子名称: 16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F.
登録日2022-07-01
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
4MO5
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BU of 4mo5 by Molmil
Crystal structure of AnmK bound to AMPPCP and anhMurNAc
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, MAGNESIUM ION, ...
著者Bacik, J.P, Mark, B.L.
登録日2013-09-11
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
7QVQ
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BU of 7qvq by Molmil
Human telomeric DNA G-quadruplex of a gold(III) complex containing the 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine ligand
分子名称: 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex, POTASSIUM ION, human telomeric DNA
著者Bazzicalupi, C, Ryde, U, Gratteri, P, Bergmann, J.
登録日2022-01-23
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
4MO4
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BU of 4mo4 by Molmil
Crystal structure of AnmK bound to AMPPCP
分子名称: Anhydro-N-acetylmuramic acid kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Bacik, J.P, Mark, B.L.
登録日2013-09-11
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
4MT2
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BU of 4mt2 by Molmil
COMPARISON OF THE NMR SOLUTION STRUCTURE AND THE X-RAY CRYSTAL STRUCTURE OF RAT METALLOTHIONEIN-2
分子名称: CADMIUM ION, METALLOTHIONEIN ISOFORM II, SODIUM ION, ...
著者Robbins, A.H, Stout, C.D.
登録日1993-02-26
公開日1993-07-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Comparison of the NMR solution structure and the x-ray crystal structure of rat metallothionein-2.
Proc.Natl.Acad.Sci.USA, 89, 1992
5O2Y
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BU of 5o2y by Molmil
NMR structure of the calcium bound form of PulG, major pseudopilin from Klebsiella oxytoca T2SS
分子名称: CALCIUM ION, General secretion pathway protein G
著者Lopez-Castilla, A, Bardiaux, B, Vitorge, B, Thomassin, J.-L, Zheng, W, Yu, X, Egelman, E.H, Nilges, M, Francetic, O, Izadi-Pruneyre, N.
登録日2017-05-23
公開日2017-10-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the calcium-dependent type 2 secretion pseudopilus.
Nat Microbiol, 2, 2017
5XX9
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BU of 5xx9 by Molmil
Crystal structure of Bacterioferritin
分子名称: Bacterioferritin, FE (II) ION
著者Jobichen, C, Rajesh, R, Angayarkanni, J, Sivaraman, J.
登録日2017-07-01
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Bacterioferritin nanocage structures uncover the bio-mineralization process in ferritins
Pnas Nexus, 2023
6C40
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BU of 6c40 by Molmil
CheY41PyTyrD54K from Thermotoga maritima
分子名称: COPPER (II) ION, Chemotaxis protein CheY
著者Merz, G.E, Muok, A.R, Crane, B.R.
登録日2018-01-11
公開日2018-10-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Site-Specific Incorporation of a Cu2+Spin Label into Proteins for Measuring Distances by Pulsed Dipolar Electron Spin Resonance Spectroscopy.
J Phys Chem B, 122, 2018

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