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6K3B
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BU of 6k3b by Molmil
Crystal structure of Lpg2147-Lpg2149 complex
分子名称: Lpg2147, Uncharacterized protein
著者Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y.
登録日2019-05-17
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.974 Å)
主引用文献Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
6K41
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BU of 6k41 by Molmil
cryo-EM structure of alpha2BAR-GoA complex
分子名称: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K.
登録日2019-05-23
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
5AMF
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BU of 5amf by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening)
分子名称: BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION
著者Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
登録日2015-03-10
公開日2015-03-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
5AME
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BU of 5ame by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening)
分子名称: 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, SODIUM ION
著者Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
登録日2015-03-10
公開日2015-03-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.578 Å)
主引用文献Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
1KVK
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BU of 1kvk by Molmil
The Structure of Binary complex between a Mammalian Mevalonate Kinase and ATP: Insights into the Reaction Mechanism and Human Inherited Disease
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, mevalonate kinase
著者Fu, Z, Wang, M, Potter, D, Mizioko, H.M, Kim, J.J.
登録日2002-01-26
公開日2002-03-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Structure of a Binary complex between a Mammalian Mevalonate Kinase and ATP: Insights into the Reaction Mechanism and Human Inherited Disease
J.Biol.Chem., 277, 2002
5BX7
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BU of 5bx7 by Molmil
PKA in complex with a benzothiophene fragment compound.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ...
著者Narayanan, D, Alam, K.A, Engh, R.A.
登録日2015-06-08
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
5BXJ
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BU of 5bxj by Molmil
Complex of the Fk1 domain mutant A19T of FKBP51 with 4-Nitrophenol
分子名称: P-NITROPHENOL, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Wu, D, Tao, X, Chen, Z, Han, J, Jia, W, Li, X, Wang, Z, He, Y.X.
登録日2015-06-09
公開日2016-05-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献The environmental endocrine disruptor p-nitrophenol interacts with FKBP51, a positive regulator of androgen receptor and inhibits androgen receptor signaling in human cells
J. Hazard. Mater., 307, 2016
6K97
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BU of 6k97 by Molmil
Crystal structure of fusion DH domain
分子名称: Fusion DH, SULFATE ION
著者Kawasaki, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T.
登録日2019-06-14
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Functional and Structural Analyses of the Split-Dehydratase Domain in the Biosynthesis of Macrolactam Polyketide Cremimycin.
Biochemistry, 58, 2019
6K04
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BU of 6k04 by Molmil
Crystal structure of BRD2(BD2)with ligand BY27 bound
分子名称: (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, Bromodomain-containing protein 2
著者Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C.
登録日2019-05-05
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.251 Å)
主引用文献Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
1KXR
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BU of 1kxr by Molmil
Crystal Structure of Calcium-Bound Protease Core of Calpain I
分子名称: CALCIUM ION, thiol protease DOMAINS I AND II
著者Moldoveanu, T, Hosfield, C.M, Lim, D, Elce, J.S, Jia, Z, Davies, P.L.
登録日2002-02-01
公開日2002-03-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献A Ca(2+) switch aligns the active site of calpain.
Cell(Cambridge,Mass.), 108, 2002
6I5F
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BU of 6i5f by Molmil
Crystal structure of DNA-free E.coli MutS P839E dimer mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein MutS, GLYCEROL, ...
著者Bhairosing-Kok, D, Groothuizen, F.S, Fish, A, Dharadhar, S, Winterwerp, H.H.K, Sixma, T.K.
登録日2018-11-13
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Sharp kinking of a coiled-coil in MutS allows DNA binding and release.
Nucleic Acids Res., 47, 2019
1KVA
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BU of 1kva by Molmil
E. COLI RIBONUCLEASE HI D134A MUTANT
分子名称: RIBONUCLEASE H
著者Kashiwagi, T, Jeanteur, D, Haruki, M, Katayanagi, K, Kanaya, S, Morikawa, K.
登録日1996-10-04
公開日1997-03-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Proposal for new catalytic roles for two invariant residues in Escherichia coli ribonuclease HI.
Protein Eng., 9, 1996
1ILX
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BU of 1ilx by Molmil
Excited State Dynamics in Photosystem II Revised. New Insights from the X-ray Structure.
分子名称: 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, CADMIUM ION, CHLOROPHYLL A, ...
著者Vasilev, S, Orth, P, Zouni, A, Owens, T.G, Bruce, D.
登録日2001-05-09
公開日2001-07-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Excited-state dynamics in photosystem II: insights from the x-ray crystal structure.
Proc.Natl.Acad.Sci.USA, 98, 2001
6I7H
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BU of 6i7h by Molmil
Crystal structure of dimeric FICD mutant K256S
分子名称: Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION
著者Perera, L.A, Yan, Y, Read, R.J, Ron, D.
登録日2018-11-16
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP.
Embo J., 38, 2019
6IKO
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BU of 6iko by Molmil
Crystal structure of mouse GAS7cb
分子名称: Growth arrest-specific protein 7
著者Hanawa-Suetsugu, K, Itoh, Y, Kohda, D, Shimada, A, Suetsugu, S.
登録日2018-10-16
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.756 Å)
主引用文献Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7.
Nat Commun, 10, 2019
6I8K
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BU of 6i8k by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 164 kGy structure
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
登録日2018-11-20
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
1ISR
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BU of 1isr by Molmil
Crystal Structure of Metabotropic Glutamate Receptor Subtype 1 Complexed with Glutamate and Gadolinium Ion
分子名称: GADOLINIUM ATOM, GLUTAMIC ACID, Metabotropic Glutamate Receptor subtype 1
著者Tsuchiya, D, Kunishima, N, Kamiya, N, Jingami, H, Morikawa, K.
登録日2001-12-21
公開日2002-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural views of the ligand-binding cores of a metabotropic glutamate receptor complexed with an antagonist and both glutamate and Gd3+.
Proc.Natl.Acad.Sci.USA, 99, 2002
6IB2
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BU of 6ib2 by Molmil
The structure of MKK7 in complex with the covalent 4-amino-pyrazolopyrimidine 4a
分子名称: 1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Hardick, J, Mueller, M.P, Rauh, D.
登録日2018-11-28
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting the MKK7-JNK (Mitogen-Activated Protein Kinase Kinase 7-c-Jun N-Terminal Kinase) Pathway with Covalent Inhibitors.
J.Med.Chem., 62, 2019
1ITY
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BU of 1ity by Molmil
Solution structure of the DNA binding domain of human TRF1
分子名称: TRF1
著者Nishikawa, T, Okamura, H, Nagadoi, A, Konig, P, Rhodes, D, Nishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-02-15
公開日2002-03-06
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of a telomeric DNA complex of human TRF1
Structure, 9, 2001
1IXZ
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BU of 1ixz by Molmil
Crystal structure of the FtsH ATPase domain from Thermus thermophilus
分子名称: ATP-dependent metalloprotease FtsH, MERCURY (II) ION, SULFATE ION
著者Niwa, H, Tsuchiya, D, Makyio, H, Yoshida, M, Morikawa, K.
登録日2002-07-10
公開日2002-11-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Hexameric ring structure of the ATPase domain of the membrane-integrated metalloprotease FtsH from Thermus thermophilus HB8
Structure, 10, 2002
4ZSY
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BU of 4zsy by Molmil
Pig Brain GABA-AT inactivated by (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid.
分子名称: (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
著者Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D.
登録日2015-05-14
公開日2015-07-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.
Acs Chem.Biol., 10, 2015
6IKN
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BU of 6ikn by Molmil
Crystal structure of the GAS7 F-BAR domain
分子名称: Growth arrest-specific protein 7
著者Hanawa-Suetsugu, K, Itoh, Y, Kohda, D, Shimada, A, Suetsugu, S.
登録日2018-10-16
公開日2019-10-16
最終更新日2019-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7.
Nat Commun, 10, 2019
6IV5
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BU of 6iv5 by Molmil
Crystal structure of arabidopsis N6-mAMP deaminase MAPDA
分子名称: Adenosine/AMP deaminase family protein, PHOSPHATE ION, ZINC ION
著者Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J.
登録日2018-12-02
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing.
Rna Biol., 16, 2019
4ZWC
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BU of 4zwc by Molmil
Crystal structure of maltose-bound human GLUT3 in the outward-open conformation at 2.6 angstrom
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
登録日2015-05-19
公開日2015-07-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
4ZW9
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BU of 4zw9 by Molmil
Crystal structure of human GLUT3 bound to D-glucose in the outward-occluded conformation at 1.5 angstrom
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
登録日2015-05-19
公開日2015-07-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015

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