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2CFS
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BU of 2cfs by Molmil
crystal structure of human pyridoxal 5'-phosphate phosphatase
Descriptor: MAGNESIUM ION, PYRIDOXAL PHOSPHATE PHOSPHATASE
Authors:Kang, B.S, Cho, H.J, Kim, K.J, Kwon, O.S.
Deposit date:2006-02-23
Release date:2007-02-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Pyridoxal 5'-Phosphate Phosphatase
To be Published
5O8U
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BU of 5o8u by Molmil
Covalent Inhibitor 4b bound to the Lipid Pocket of p38alpha Mutant S252C
Descriptor: 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one, Mitogen-activated protein kinase 14
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-06-14
Release date:2017-09-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants.
Angew. Chem. Int. Ed. Engl., 56, 2017
5O8V
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BU of 5o8v by Molmil
Covalent Inhibitor 4a bound to the Lipid Pocket of p38alpha Mutant S251C
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-06-14
Release date:2017-09-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants.
Angew. Chem. Int. Ed. Engl., 56, 2017
1Z9C
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BU of 1z9c by Molmil
Crystal structure of OhrR bound to the ohrA promoter: Structure of MarR family protein with operator DNA
Descriptor: DNA (29-MER), Organic hydroperoxide resistance transcriptional regulator
Authors:Hong, M, Fuangthong, M, Helmann, J.D, Brennan, R.G.
Deposit date:2005-04-01
Release date:2005-10-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure of an OhrR-ohrA Operator Complex Reveals the DNA Binding Mechanism of the MarR Family.
Mol.Cell, 20, 2005
6HWU
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BU of 6hwu by Molmil
Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2)
Descriptor: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Mueller, M.P, Rauh, D.
Deposit date:2018-10-15
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
5OMG
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BU of 5omg by Molmil
p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12
Descriptor: 3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-07-31
Release date:2019-03-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors.
Biochem.Biophys.Res.Commun., 511, 2019
7WB4
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BU of 7wb4 by Molmil
Cryo-EM structure of the NR subunit from X. laevis NPC
Descriptor: GATOR complex protein SEC13, MGC154553 protein, MGC83295 protein, ...
Authors:Huang, G, Zhan, X, Shi, Y.
Deposit date:2021-12-15
Release date:2022-03-02
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Cryo-EM structure of the nuclear ring from Xenopus laevis nuclear pore complex.
Cell Res., 32, 2022
2ESB
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BU of 2esb by Molmil
Crystal structure of human DUSP18
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Dual specificity protein phosphatase 18
Authors:Kim, S.J, Ryu, S.E, Jeong, D.G, Cho, Y.H, Yoon, T.S, Kim, J.H.
Deposit date:2005-10-25
Release date:2006-06-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human DSP18, a member of the dual-specificity protein tyrosine phosphatase family.
Acta Crystallogr.,Sect.D, 62, 2006
1WBS
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BU of 1wbs by Molmil
Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
Descriptor: 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
Deposit date:2004-11-05
Release date:2005-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
1WBN
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BU of 1wbn by Molmil
fragment based p38 inhibitors
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
Authors:Cleasby, A, Devine, L.A, Gill, A.L, Jhoti, H.
Deposit date:2004-11-04
Release date:2005-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
4FI1
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BU of 4fi1 by Molmil
Crystal structure of scCK2 alpha in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, MAGNESIUM ION, ...
Authors:Liu, H, Wang, H, Teng, M, Li, X.
Deposit date:2012-06-07
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of scCK2 alpha in complex with ATP
To be Published
2GWO
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BU of 2gwo by Molmil
crystal structure of TMDP
Descriptor: Dual specificity protein phosphatase 13
Authors:Kim, S.J, Ryu, S.E, Kim, J.H.
Deposit date:2006-05-05
Release date:2007-03-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human TMDP, a testis-specific dual specificity protein phosphatase: implications for substrate specificity
Proteins, 66, 2007
4B6E
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BU of 4b6e by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
Descriptor: 1H-indazol-7-amine, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, ...
Authors:Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
Deposit date:2012-08-09
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
8PPZ
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BU of 8ppz by Molmil
Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Descriptor: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, CALCIUM ION, ...
Authors:Meyners, C, Deutscher, R.C.E, Hausch, F.
Deposit date:2023-07-10
Release date:2023-08-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Chemrxiv, 2023
7QO4
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BU of 7qo4 by Molmil
26S proteasome WT-Ubp6-UbVS complex in the si state (ATPases, Rpn1, Ubp6, and UbVS)
Descriptor: 26S proteasome regulatory subunit RPN1, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
Deposit date:2021-12-23
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
6O34
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BU of 6o34 by Molmil
Crystal Structure Analysis of PIN1
Descriptor: GLYCEROL, NONAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal Structure Analysis of PIN1
To be Published
6O33
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BU of 6o33 by Molmil
Crystal Structure Analysis of PIN1
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, peptide
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure Analysis of PIN1
To be Published
6O49
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BU of 6o49 by Molmil
CRYSTAL STRUCTURE OF SMT FUSION PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI COMPLEXED WITH SF339
Descriptor: (2~{S})-~{N}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-02-28
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:CRYSTAL STRUCTURE OF SMT FUSION PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI COMPLEXED WITH SF339
to be published
8TWI
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BU of 8twi by Molmil
Cryo-EM structure of the PP2A:B55-FAM122A complex, PP2Ac body
Descriptor: FE (III) ION, PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
Authors:Fuller, J.R, Padi, S.K.R, Peti, W, Page, R.
Deposit date:2023-08-21
Release date:2023-11-01
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
8TWE
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BU of 8twe by Molmil
Cryo-EM structure of the PP2A:B55-FAM122A complex, B55 body
Descriptor: PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
Authors:Fuller, J.R, Padi, S.K.R, Peti, W, Page, R.
Deposit date:2023-08-21
Release date:2023-11-01
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
8TTB
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BU of 8ttb by Molmil
Cryo-EM structure of the PP2A:B55-ARPP19 complex
Descriptor: FE (III) ION, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
Authors:Fuller, J.R, Padi, S.K.R, Peti, W, Page, R.
Deposit date:2023-08-13
Release date:2023-10-25
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
7UD5
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BU of 7ud5 by Molmil
Complex between MLL1-WRAD and an H2B-ubiquitinated nucleosome
Descriptor: 601 DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Niklas, H.A, Rahman, S, Worden, E.J, Wolberger, C.
Deposit date:2022-03-18
Release date:2022-09-21
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome.
Proc.Natl.Acad.Sci.USA, 119, 2022
8POD
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BU of 8pod by Molmil
Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700
Descriptor: 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine, Activin receptor type-1, FLUORIDE ION, ...
Authors:Cros, J, Baltanas-Copado, J, Knapp, S, Paruch, K, Nemec, N, Bullock, A.N.
Deposit date:2023-07-04
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700
To Be Published
3JCO
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BU of 3jco by Molmil
Structure of yeast 26S proteasome in M1 state derived from Titan dataset
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Luan, B, Huang, X.L, Wu, J.P, Shi, Y.G, Wang, F.
Deposit date:2016-01-06
Release date:2016-06-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure of an endogenous yeast 26S proteasome reveals two major conformational states.
Proc.Natl.Acad.Sci.USA, 113, 2016
3JCP
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BU of 3jcp by Molmil
Structure of yeast 26S proteasome in M2 state derived from Titan dataset
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Luan, B, Huang, X.L, Wu, J.P, Shi, Y.G, Wang, F.
Deposit date:2016-01-06
Release date:2016-06-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of an endogenous yeast 26S proteasome reveals two major conformational states.
Proc.Natl.Acad.Sci.USA, 113, 2016

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數據於2024-11-13公開中

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