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3DYN
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BU of 3dyn by Molmil
human phosphodiestrase 9 in complex with cGMP (Zn inhibited)
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ...
著者Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
登録日2008-07-28
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DKY
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BU of 3dky by Molmil
Crystal Structure of the replication initiator protein encoded on plasmid pMV158 (RepB), tetragonal form, to 3.6 Ang resolution
分子名称: MANGANESE (II) ION, Replication protein repB
著者Boer, D.R, Ruiz-Maso, J.A, Blanco, A.G, Vives-Llacer, M, Uson, I, Gomis-Ruth, F.X, Espinosa, M, Del Solar, G, Coll, M.
登録日2008-06-26
公開日2009-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Plasmid replication initiator RepB forms a hexamer reminiscent of ring helicases and has mobile nuclease domains
Embo J., 28, 2009
3DVN
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BU of 3dvn by Molmil
Crystal structure of K63-specific fab Apu2.16 bound to K63-linked di-ubiquitin
分子名称: Human IgG1 fab fragment heavy chain, Human IgG1 fab fragment light chain, Ubiquitin, ...
著者Hymowitz, S.G.
登録日2008-07-18
公開日2008-09-30
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ubiquitin chain editing revealed by polyubiquitin linkage-specific antibodies.
Cell(Cambridge,Mass.), 134, 2008
3DYA
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BU of 3dya by Molmil
HIV-1 RT with non-nucleoside inhibitor annulated Pyrazole 1
分子名称: 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT
著者Harris, S.F, Villasenor, A.
登録日2008-07-25
公開日2008-11-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
3G11
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BU of 3g11 by Molmil
Structure of E. coli FabF(C163Q) in complex with dihydrophenyl platensimycin
分子名称: 3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
著者Soisson, S.M, Parthasarathy, G.
登録日2009-01-29
公開日2009-03-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and biological evaluation of platensimycin analogs.
Bioorg.Med.Chem.Lett., 19, 2009
7JWB
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BU of 7jwb by Molmil
SARS CoV2 Spike ectodomain with engineered trimerized VH binder
分子名称: Spike glycoprotein, autonomous human heavy chain variable domain
著者QCRG Structural Biology Consortium
登録日2020-08-25
公開日2020-10-07
最終更新日2020-12-30
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Bi-paratopic and multivalent VH domains block ACE2 binding and neutralize SARS-CoV-2.
Nat.Chem.Biol., 17, 2021
3GBO
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BU of 3gbo by Molmil
Crystal structure of BmooMPalpha-I, a non-hemorrhagic metalloproteinase isolated from Bothrops moojeni snake venom
分子名称: CALCIUM ION, ZINC ION, Zinc metalloproteinase BmooMPalfa-I
著者Akao, P.K, Tonoli, C.C.C, Murakami, M.T.
登録日2009-02-20
公開日2009-09-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural studies of BmooMPalpha-I, a non-hemorrhagic metalloproteinase from Bothrops moojeni venom.
Toxicon, 55, 2010
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
5EX1
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BU of 5ex1 by Molmil
Crystal structure of cyclophilin AquaCyp300 from Hirschia baltica
分子名称: MAGNESIUM ION, Peptidyl-prolyl cis-trans isomerase cyclophilin type
著者Jakob, R.P, Maier, T.
登録日2015-11-23
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Structural and Functional Characterization of a Novel Family of Cyclophilins, the AquaCyps.
Plos One, 11, 2016
5G1E
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BU of 5g1e by Molmil
The complex structure of syntenin-1 PDZ domain with c-terminal extension
分子名称: SYNTENIN-1
著者Lee, I, Kim, H, Yun, J.H, Lee, W.
登録日2016-03-25
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献New Structural Insight of C-Terminal Region of Syntenin-1, Enhancing the Molecular Dimerization and Inhibitory Function Related on Syndecan-4 Signaling.
Sci.Rep., 6, 2016
5FCS
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BU of 5fcs by Molmil
Diabody
分子名称: Diabody, SULFATE ION
著者Mosyak, L, Root, A.
登録日2015-12-15
公開日2016-12-14
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Development of PF-06671008, a Highly Potent Anti-P-cadherin/Anti-CD3 Bispecific DART Molecule with Extended Half-Life for the Treatment of Cancer.
Antibodies, 5, 2016
7LAB
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BU of 7lab by Molmil
Structure of SARS-CoV-2 S protein in complex with N-terminal domain antibody DH1052
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1052 heavy chain, ...
著者Manne, K, Acharya, P.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7LAA
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BU of 7laa by Molmil
Structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1041
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1041 heavy chain, ...
著者Manne, K, Acharya, P.
登録日2021-01-06
公開日2021-03-17
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
3DT1
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BU of 3dt1 by Molmil
P38 Complexed with a quinazoline inhibitor
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
著者Herberich, B, Syed, R, Li, V, Tasker, A.S.
登録日2008-07-14
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
5HUC
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BU of 5huc by Molmil
DAHP synthase from Corynebacterium glutamicum
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, MANGANESE (II) ION, ...
著者Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U.
登録日2016-01-27
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
5HM7
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BU of 5hm7 by Molmil
The Intracellular domain of Butyrophilin 3A1 protein
分子名称: BETA-MERCAPTOETHANOL, Butyrophilin subfamily 3 member A1, GLYCEROL, ...
著者Adams, E.J, Gu, S.
登録日2016-01-15
公開日2017-07-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Phosphoantigen-induced conformational change of butyrophilin 3A1 (BTN3A1) and its implication on V gamma 9V delta 2 T cell activation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3E01
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BU of 3e01 by Molmil
HIV-RT with non-nucleoside inhibitor annulated pyrazole 2
分子名称: 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein
著者Harris, S.F, Villasenor, A.
登録日2008-07-30
公開日2008-11-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
5DXF
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BU of 5dxf by Molmil
Structure of Candida albicans trehalose-6-phosphate phosphatase N-terminal domain
分子名称: trehalose-6-phosphate phosphatase
著者Miao, Y, Brennan, R.G.
登録日2015-09-23
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.563 Å)
主引用文献Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DYL
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BU of 5dyl by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form
分子名称: cGMP-dependent protein kinase, putative
著者Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-09-24
公開日2015-11-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
3DTC
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BU of 3dtc by Molmil
Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16
分子名称: 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one, Mitogen-activated protein kinase kinase kinase 9, SULFATE ION
著者Fedorov, A.A, Fedorov, E.V, Meyer, S.L, Hudkins, R.L, Almo, S.C.
登録日2008-07-14
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models.
J.Med.Chem., 51, 2008
3DVG
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BU of 3dvg by Molmil
Crystal structure of K63-specific fab Apu.3A8 bound to K63-linked di-ubiquitin
分子名称: Human IgG1 fab fragment heavy chain, Human IgG1 fab fragment light chain, Ubiquitin, ...
著者Hymowitz, S.G.
登録日2008-07-18
公開日2008-09-30
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ubiquitin chain editing revealed by polyubiquitin linkage-specific antibodies.
Cell(Cambridge,Mass.), 134, 2008
5HD2
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BU of 5hd2 by Molmil
The crystal structure of SeMet-Cry51Aa2-L11M
分子名称: Parasporal crystal protein
著者Rydel, T.J, Sturman, E.J, Moshiri, F.
登録日2016-01-04
公開日2016-07-20
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (2.276 Å)
主引用文献A transgenic approach for controlling Lygus in cotton.
Nat Commun, 7, 2016
5HEE
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BU of 5hee by Molmil
Crystal structure of the TK2203 protein
分子名称: GLYCEROL, Putative uncharacterized protein, TK2203 protein, ...
著者Nishitani, Y, Miki, K.
登録日2016-01-06
公開日2016-06-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal structure of the TK2203 protein from Thermococcus kodakarensis, a putative extradiol dioxygenase
Acta Crystallogr.,Sect.F, 72, 2016
3EXD
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BU of 3exd by Molmil
Sulfur-SAD phased HEWL Crystal
分子名称: Lysozyme C
著者Nascimento, A.S, Liberato, M.V, Polikarpov, I.
登録日2008-10-16
公開日2008-10-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献The MX2 macromolecular crystallography beamline: a wiggler X-ray source at the LNLS.
J.Synchrotron Radiat., 16, 2009
3F3T
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BU of 3f3t by Molmil
Kinase domain of cSrc in complex with inhibitor RL38 (Type III)
分子名称: 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Proto-oncogene tyrosine-protein kinase Src
著者Gruetter, C, Klueter, S, Getlik, M, Rauh, D.
登録日2008-10-31
公開日2009-03-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A new screening assay for allosteric inhibitors of cSrc
Nat.Chem.Biol., 5, 2009

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