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PDB: 22424 件

8I5D
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BU of 8i5d by Molmil
Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
分子名称: Beta-2-microglobulin, MHC class I antigen (Fragment), TCR alpha chain, ...
著者Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F.
登録日2023-01-25
公開日2023-08-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
Nat Commun, 2023
5LPJ
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BU of 5lpj by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1
分子名称: CREB-binding protein, ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
著者Huegle, M, Wohlwend, D.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LTL
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BU of 5ltl by Molmil
Structure of human chemokine CCL16
分子名称: C-C motif chemokine 16, GLYCEROL, SODIUM ION
著者Weiergraeber, O.H, Batra-Safferling, R, Haenel, K, Willbold, D.
登録日2016-09-07
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and dynamics of human chemokine CCL16
To Be Published
8HUA
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BU of 8hua by Molmil
Serial synchrotron crystallography structure of ba3-type cytochrome c oxidase from Thermus thermophilus using a goniometer compatible flow-cell
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Ghosh, S, Zoric, D, Bjelcic, M, Johannesson, J, Sandelin, E, Branden, G, Neutze, R.
登録日2022-12-22
公開日2023-03-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A simple goniometer-compatible flow cell for serial synchrotron X-ray crystallography.
J.Appl.Crystallogr., 56, 2023
5LPK
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BU of 5lpk by Molmil
Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1
分子名称: 1,2-ETHANEDIOL, Histone acetyltransferase p300, SULFATE ION, ...
著者Huegle, M, Wohlwend, D.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LVX
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BU of 5lvx by Molmil
Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator
分子名称: 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D.
登録日2016-09-14
公開日2017-10-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
8IF4
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BU of 8if4 by Molmil
Structure of human alpha-2/delta-1 without mirogabalin
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, Voltage-dependent calcium channel subunit alpha-2/delta-1
著者Kozai, D, Numoto, N, Fujiyoshi, Y.
登録日2023-02-17
公開日2023-04-05
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Recognition Mechanism of a Novel Gabapentinoid Drug, Mirogabalin, for Recombinant Human alpha 2 delta 1, a Voltage-Gated Calcium Channel Subunit.
J.Mol.Biol., 435, 2023
8IF3
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BU of 8if3 by Molmil
Structure of human alpha-2/delta-1 with mirogabalin
分子名称: 2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kozai, D, Numoto, N, Fujiyoshi, Y.
登録日2023-02-17
公開日2023-04-05
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Recognition Mechanism of a Novel Gabapentinoid Drug, Mirogabalin, for Recombinant Human alpha 2 delta 1, a Voltage-Gated Calcium Channel Subunit.
J.Mol.Biol., 435, 2023
8IHP
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BU of 8ihp by Molmil
Structure of Semliki Forest virus VLP in complex with the receptor VLDLR-LA3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid protein, ...
著者Cao, D, Ma, B, Cao, Z, Zhang, X, Xiang, Y.
登録日2023-02-23
公開日2023-04-12
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of Semliki Forest virus in complex with its receptor VLDLR.
Cell, 186, 2023
5LPL
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BU of 5lpl by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c
分子名称: CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
著者Wohlwend, D, Huegle, M.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
7O4W
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BU of 7o4w by Molmil
Crystal structure of diphtheria toxin mutant CRM197 with a disulphide bond replaced by a Cys-Acetone-Cys bridge
分子名称: 1,2-ETHANEDIOL, 1-hydroxypropan-2-one, ACETATE ION, ...
著者Veggi, D, Dello Iacono, L.
登録日2021-04-07
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.03002071 Å)
主引用文献Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for the effectiveness of glycoconjugate vaccine candidates.
Chem Sci, 13, 2022
6Z3Z
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BU of 6z3z by Molmil
CryoEM structure of horse sodium/proton exchanger NHE9 without C-terminal regulatory domain in an inward-facing conformation
分子名称: Sodium/hydrogen exchanger
著者Winkelmann, I, Matsuoka, R, Meier, P, Drew, D.
登録日2020-05-22
公開日2020-11-04
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structure and elevator mechanism of the mammalian sodium/proton exchanger NHE9.
Embo J., 39, 2020
5LPM
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BU of 5lpm by Molmil
Crystal structure of the bromodomain of human Ep300 bound to the inhibitor XDM3d
分子名称: ACETATE ION, Histone acetyltransferase p300, ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole -2-carboxamide
著者Huegle, M, Wohlwend, D, Gerhardt, S.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LMD
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BU of 5lmd by Molmil
The crystal structure of hCA II in complex with a benzoxaborole inhibitor
分子名称: 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, Carbonic anhydrase 2, ZINC ION
著者De Simone, G, Alterio, V, Esposito, D, Di Fiore, A.
登録日2016-07-29
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
5LOC
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BU of 5loc by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH)
分子名称: Meso-diaminopimelate D-dehydrogenase
著者Dunstan, M.S, Gahloth, D.
登録日2016-08-09
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published
8I5C
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BU of 8i5c by Molmil
Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
分子名称: Beta-2-microglobulin, MHC class I antigen (Fragment), TCR alpha chain, ...
著者Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F.
登録日2023-01-24
公開日2023-08-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
Nat Commun, 2023
5LCN
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BU of 5lcn by Molmil
STRUCTURE OF THE PYROCOCCUS FURIOSUS ESTERASE PF2001 WITH SPACE GROUP P212121
分子名称: PENTAETHYLENE GLYCOL, Uncharacterized protein
著者Varejao, N, Reverter, D.
登録日2016-06-22
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
8I5E
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BU of 8i5e by Molmil
Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVGAGGVGK)
分子名称: Beta-2-microglobulin, KRAS-G12wt-9, MHC class I antigen (Fragment)
著者Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F.
登録日2023-01-25
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
Nat Commun, 2023
8IMX
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BU of 8imx by Molmil
Cryo-EM structure of GPI-T with a chimeric GPI-anchored protein
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xu, Y, Li, T, Qu, Q, Li, D.
登録日2023-03-07
公開日2023-08-16
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
8IHS
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BU of 8ihs by Molmil
Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with ochratoxin A
分子名称: (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION
著者Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2023-02-23
公開日2023-08-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
8IM5
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BU of 8im5 by Molmil
Solution structure of the mouse HOIL1-L NZF domain in the free form
分子名称: RanBP-type and C3HC4-type zinc finger-containing protein 1, ZINC ION
著者Walinda, E, Morimoto, D.
登録日2023-03-06
公開日2023-08-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the HOIL-1L NZF domain reveals a conformational switch regulating linear ubiquitin affinity.
J.Biol.Chem., 299, 2023
8IMY
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BU of 8imy by Molmil
Cryo-EM structure of GPI-T (inactive mutant) with GPI and proULBP2, a proprotein substrate
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, T, Xu, Y, Qu, Q, Li, D.
登録日2023-03-07
公開日2023-08-16
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
5LJN
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BU of 5ljn by Molmil
Structure of the HOIP PUB domain bound to SPATA2 PIM peptide
分子名称: E3 ubiquitin-protein ligase RNF31, GLYCEROL, SULFATE ION, ...
著者Elliott, P.R, Komander, D.
登録日2016-07-18
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
4CRF
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BU of 4crf by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2022-05-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
6TLZ
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BU of 6tlz by Molmil
N-Domain P40/P90 Mycoplasma pneumoniae complexed with 3'SL
分子名称: Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ...
著者Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J.
登録日2019-12-03
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020

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件を2024-09-11に公開中

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