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PDB: 53012 件

4WMX
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The structure of MBP-MCL1 bound to ligand 6 at 2.0A
分子名称: 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid, FORMIC ACID, MAGNESIUM ION, ...
著者Clifton, M.C, Dranow, D.M.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
6NDH
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RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND ZINC
分子名称: AMMONIUM ION, CHLORIDE ION, Integrin alpha-2, ...
著者Stetefeld, J, McDougall, M.D, Loewen, P.C.
登録日2018-12-13
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN WITH ZINC BOUND
To be published
6Q0Z
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28
分子名称: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide, Hdac6 protein, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6Q1C
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Apo YfeA extracted from the E. coli periplasm
分子名称: Periplasmic chelated iron-binding protein YfeA
著者Radka, C.D, Labiuk, S.L, DeLucas, L.J, Aller, S.G.
登録日2019-08-03
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structures of the substrate-binding protein YfeA in apo and zinc-reconstituted holo forms.
Acta Crystallogr D Struct Biol, 75, 2019
6NEU
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FAD-dependent monooxygenase TropB from T. stipitatus R206Q variant
分子名称: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
登録日2018-12-18
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6W7E
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K2P2.1 (TREK-1), 30 mM K+
分子名称: CADMIUM ION, DODECANE, HEXADECANE, ...
著者Lolicato, M, Minor, D.L.
登録日2020-03-19
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
5MEV
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MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21
分子名称: (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ...
著者Hargreaves, D.
登録日2016-11-16
公開日2017-01-18
最終更新日2017-03-08
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
7KVV
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Crystal structure of Squash RNA aptamer in complex with DFHBI-1T
分子名称: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, Squash RNA aptamer bound to DFHO
著者Truong, L, Ferre-D'Amare, A.R.
登録日2020-11-28
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold.
Nat.Chem.Biol., 18, 2022
8FC9
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Cryo-EM structure of the human TRPV4 - RhoA, apo condition
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA, ...
著者Kwon, D.H, Lee, S.-Y, Zhang, F.
登録日2022-12-01
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
6Q0X
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The cryo-EM structure of the SNX-BAR Mvp1 tetramer
分子名称: Sorting nexin MVP1
著者Sun, D, Ford, M.G.J, Zhang, P.
登録日2019-08-02
公開日2020-04-01
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The cryo-EM structure of the SNX-BAR Mvp1 tetramer.
Nat Commun, 11, 2020
7ZXK
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Human IL-27 in complex with neutralizing SRF388 FAb fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 subunit alpha, Interleukin-27 subunit beta, ...
著者Bloch, Y, Skladanowska, K, Strand, J, Welin, M, Logan, D, Hill, J, Savvides, S.N.
登録日2022-05-21
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27.
Cell Rep, 41, 2022
5J9L
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Crystal structure of CPT1691 bound to TAK1-TAB1
分子名称: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
著者Gurbani, D, Westover, K.D.
登録日2016-04-10
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7515 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
6NDB
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RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND COBALT
分子名称: AMMONIUM ION, CHLORIDE ION, COBALT (II) ION, ...
著者Stetefeld, J, McDougall, M.D, Loewen, P.C.
登録日2018-12-13
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND COBALT
To be published
7ZL1
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PTX3 Pentraxin Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pentraxin-related protein PTX3
著者Noone, D.P, Sharp, T.H.
登録日2022-04-13
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献PTX3 structure determination using a hybrid cryoelectron microscopy and AlphaFold approach offers insights into ligand binding and complement activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8FC8
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Cryo-EM structure of the human TRPV4 in complex with GSK1016790A
分子名称: CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4
著者Kwon, D.H, Lee, S.-Y, Zhang, F.
登録日2022-12-01
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
7OHI
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FCHO1-peptide-AP2 alpha ear complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AP-2 complex subunit alpha-2, F-BAR domain only protein 1, ...
著者Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J.
登録日2021-05-11
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch.
Sci Adv, 8, 2022
7KC4
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Human WLS in complex with WNT8A
分子名称: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Nygaard, R, Jia, Y, Kim, J, Ross, D, Parisi, G, Clarke, O.B, Virshup, D.M, Mancia, F.
登録日2020-10-05
公開日2021-01-06
最終更新日2021-01-20
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural Basis of WLS/Evi-Mediated Wnt Transport and Secretion.
Cell, 184, 2021
6QAK
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Structure of human ALDH9 in P21212 space group
分子名称: 1,2-ETHANEDIOL, 4-trimethylaminobutyraldehyde dehydrogenase
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2018-12-19
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinetic and structural analysis of human ALDH9A1.
Biosci.Rep., 39, 2019
6VXQ
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Bruton's tyrosine kinase in complex with compound 5
分子名称: DIMETHYL SULFOXIDE, N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2020-02-23
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases.
J.Med.Chem., 63, 2020
6O2N
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CDTb Double Heptamer Short Form Modeled from Cryo-EM Map Reconstructed using C7 Symmetry
分子名称: ADP-ribosyltransferase binding component
著者Lacy, D.B, Sheedlo, M.J, Anderson, D.M.
登録日2019-02-24
公開日2019-10-30
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural insights into the transition of Clostridioides difficile binary toxin from prepore to pore.
Nat Microbiol, 5, 2020
7SVL
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DPP9 IN COMPLEX WITH LIGAND ICeD-2
分子名称: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
6NBS
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BU of 6nbs by Molmil
WT ERK2 with compound 2507-8
分子名称: (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Sammons, R.M, Perry, N.A, Cho, E.J, Kaoud, T.S, Zamora-Olivares, D.P, Piserchio, A, Houghten, R.A, Giulianotti, M, Li, Y, Debevec, G, Gurevich, V.V, Ghose, R, Iverson, T.M, Dalby, K.N.
登録日2018-12-10
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation.
Acs Chem.Biol., 14, 2019
8DKT
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Crystal Structure of Septin1 - Septin2 heterocomplex from Drosophila melanogaster
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者de Freitas, A.F, Leonardo, D.A, Cavini, I.A, Pereira, H.M, Garratt, R.C.
登録日2022-07-06
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Conservation and divergence of the G-interfaces of Drosophila melanogaster septins.
Cytoskeleton (Hoboken), 80, 2023
6ND8
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RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND BARIUM
分子名称: AMMONIUM ION, BARIUM ION, CHLORIDE ION, ...
著者Stetefeld, J, McDougall, M.D, Loewen, P.C.
登録日2018-12-13
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND BARIUM
To be published
6W00
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Crystal structure of Fab239 in complex with NPNA2 peptide from circumsporozoite protein
分子名称: Fab239 heavy chain, Fab239 light chain, Immunoglobulin G-binding protein G, ...
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2020-02-28
公開日2020-07-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021

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