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5YT3
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BU of 5yt3 by Molmil
Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 S218D and S222D mutant
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase kinase 1, isoform CRA_d, ...
Authors:Nakae, S, Doko, K, Tada, T, Shirai, T.
Deposit date:2017-11-16
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 S218D and S222D mutant
To Be Published
7KMR
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BU of 7kmr by Molmil
Crystal structure analysis of human KRAS mutant
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2020-11-03
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
5YBU
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BU of 5ybu by Molmil
Structure of the KANK1 ankyrin domain in complex with KIF21A peptide
Descriptor: KN motif and ankyrin repeat domain-containing protein 1, Kinesin-like protein KIF21A
Authors:Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2017-09-05
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
7CFW
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BU of 7cfw by Molmil
Crystal structure of the receiver domain of sensor histidine kinase PA1611 (PA1611REC) from Pseudomonas aeruginosa PAO1 with calcium ion coordinated in the active site cleft
Descriptor: CALCIUM ION, Histidine kinase
Authors:Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J.
Deposit date:2020-06-29
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa
Iucrj, 7, 2020
5YCE
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BU of 5yce by Molmil
Sperm whale myoglobin swMb
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
Deposit date:2017-09-07
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.77 Å)
Cite:Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5UHU
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BU of 5uhu by Molmil
Solution conformation of cytochrome P450 MycG with mycinamicin IV bound
Descriptor: MYCINAMICIN IV, Mycinamicin IV hydroxylase/epoxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pochapsky, T.C, Tietz, D.R.
Deposit date:2017-01-12
Release date:2017-08-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Conformations and Dynamics of Substrate-Bound Cytochrome P450 MycG.
Biochemistry, 56, 2017
8EML
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BU of 8eml by Molmil
Crystal Structure of Gsx2 Homeodomain in Complex with DNA
Descriptor: DNA (5'-D(P*GP*AP*GP*CP*TP*AP*AP*TP*TP*AP*AP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*TP*TP*AP*AP*TP*TP*AP*GP*CP*TP*C)-3'), GS homeobox 2, ...
Authors:Webb, J.A, Kovall, R.A.
Deposit date:2022-09-28
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal Structure of Gsx2 Homeodomain in Complex with DNA
To Be Published
4OMO
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BU of 4omo by Molmil
Crystal structure of the c-Src tyrosine kinase SH3 domain mutant Q128E
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-01-27
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation.
Plos One, 9, 2014
8ENJ
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BU of 8enj by Molmil
Design, synthesis, biological evaluation, and X-ray crystallography of diarylpyrazole derivatives possessing terminal arylsulfonamide moieties as anti-proliferative agents targeting c-Jun N-terminal kinase (JNK)
Descriptor: Mitogen-activated protein kinase 10, N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide
Authors:Park, H, Mersal, K.I.
Deposit date:2022-09-30
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells.
Eur.J.Med.Chem., 261, 2023
8ERN
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BU of 8ern by Molmil
Cyclin-free CDK2 in complex with Cpd21
Descriptor: Cyclin-dependent kinase 2, GLYCEROL, N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide
Authors:Murray, J.M, Oh, A.
Deposit date:2022-10-12
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Cyclin-free CDK2 in complex with Cpd21
To Be Published
6CXY
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BU of 6cxy by Molmil
Crystal Structure of Human E-cadherin bound by mouse monoclonal antibody Fab mAb-1_19A11
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cadherin-1, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-04-04
Release date:2019-04-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Human E-cadherin bound by mouse monoclonal antibody Fab mAb-1_19A11
to be published
7T8F
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BU of 7t8f by Molmil
G93A mutant of human SOD1 bound with Ebselen in P21 space group
Descriptor: ACETATE ION, N-phenyl-2-selanylbenzamide, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
6JO1
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BU of 6jo1 by Molmil
Structure of the CYP102A1 Haem Domain with N-(S)-Ibuprofenoyl-L-Phenylalanine
Descriptor: (2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-03-19
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
5YKS
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BU of 5yks by Molmil
Crystal structure of sucrose nonfermenting-related kinase (SNRK)
Descriptor: SNF-related serine/threonine-protein kinase
Authors:Wang, Y.L, Wang, J, Wu, J.W.
Deposit date:2017-10-16
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the kinase and UBA domains of SNRK reveals a distinct UBA binding mode in the AMPK family.
Biochem. Biophys. Res. Commun., 495, 2018
7CBX
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BU of 7cbx by Molmil
Crystal structure of MAP2K7 complexed with a covalent inhibitor 12
Descriptor: 3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide, Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL
Authors:Kinoshita, T, Murakawa, Y.
Deposit date:2020-06-15
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.061 Å)
Cite:Structural basis for producing selective MAP2K7 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
5UL6
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BU of 5ul6 by Molmil
The molecular mechanisms by which NS1 of the 1918 Spanish influenza A virus hijack host protein-protein interactions
Descriptor: Adapter molecule crk, Proline-rich motif of nonstructural protein 1 of influenza a virus
Authors:Shen, Q, Zeng, D, Zhao, B, Li, P, Cho, J.H.
Deposit date:2017-01-24
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Molecular Mechanisms Underlying the Hijack of Host Proteins by the 1918 Spanish Influenza Virus.
ACS Chem. Biol., 12, 2017
7T8E
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BU of 7t8e by Molmil
G93A mutant of human SOD1 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
8ERD
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BU of 8erd by Molmil
Cyclin-free CDK2 in complex with Cpd17
Descriptor: (2-{[1-(methanesulfonyl)piperidin-4-yl]amino}quinazolin-7-yl)[(2S)-2-methylpyrrolidin-1-yl]methanone, Cyclin-dependent kinase 2
Authors:Murray, J.M, Oh, A.
Deposit date:2022-10-11
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Cyclin-free CDK2 in complex with Cpd17
To Be Published
4OQS
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BU of 4oqs by Molmil
Crystal structure of CYP105AS1
Descriptor: CYP105AS1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2014-02-10
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum.
Proc.Natl.Acad.Sci.USA, 112, 2015
7T9C
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BU of 7t9c by Molmil
Crystal structure of dehaloperoxidase B in complex with thymol
Descriptor: 5-METHYL-2-(1-METHYLETHYL)PHENOL, Dehaloperoxidase B, GLYCEROL, ...
Authors:de Serrano, V.S, Ghiladi, R.A, Malewschik, T, Yun, D.
Deposit date:2021-12-18
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
6CUK
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BU of 6cuk by Molmil
Engineered Cytochrome c from Rhodothermus marinus, Rma TDE
Descriptor: Cytochrome c, HEME C
Authors:Lewis, R.D, Buller, A.R, Arnold, F.H.
Deposit date:2018-03-26
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Catalytic iron-carbene intermediate revealed in a cytochromeccarbene transferase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4OV2
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BU of 4ov2 by Molmil
Crystal structure of C-terminally truncated Neuronal Calcium Sensor (NCS-1) from Rattus norvegicus
Descriptor: CALCIUM ION, Neuronal calcium sensor 1
Authors:Pandaleneni, S, Burgoyne, R, Mayans, O, Lian, L.-Y.
Deposit date:2014-02-19
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of C-terminally truncated Neuronal Calcium Sensor (NCS-1) from Rattus norvegicus
To be Published
4OS3
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BU of 4os3 by Molmil
Three-dimensional structure of the C65A-W112F double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form
Descriptor: Prostaglandin-H2 D-isomerase
Authors:Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L.
Deposit date:2014-02-12
Release date:2014-08-06
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
4OW8
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BU of 4ow8 by Molmil
Crystal structure of kinase domain of PknA from Mtb
Descriptor: GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PknA
Authors:Ravala, S.K, Singh, S, Yadav, G.S, Karthikeyan, S, Chakraborti, P.K.
Deposit date:2014-01-31
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Evidence that phosphorylation of threonine in the GT motif triggers activation of PknA, a eukaryotic-type serine/threonine kinase from Mycobacterium tuberculosis.
Febs J., 282, 2015
6CVC
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BU of 6cvc by Molmil
Mycobacterium marinum cytochrome P450 CYP124A1 in the substrate-free form
Descriptor: Cytochrome P450 124A1, Cyp124A1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Child, S.A, Bruning, J.B, Bell, S.G.
Deposit date:2018-03-27
Release date:2019-03-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A comparison of the steroid binding cytochrome P450s from Mycobacterium marinum and Mycobacterium tuberculosis
To Be Published

223532

數據於2024-08-07公開中

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