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6RUA
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Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor.
分子名称: 1,2-ETHANEDIOL, 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Coquelle, N, Knez, D, Brus, B, Gobec, S, Colletier, J.P.
登録日2019-05-27
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020
6RUR
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Structure of the SCIN stabilized C3bBb convertase bound to properdin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, ...
著者Pedersen, D.V, Gadeberg, T.A.F, Andersen, G.R.
登録日2019-05-29
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
5K72
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IRAK4 in complex with Compound 21
分子名称: Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
著者Ferguson, A.D.
登録日2016-05-25
公開日2017-12-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
6DHP
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RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
登録日2018-05-20
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
8OS2
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Structure of the human LYVE-1 (lymphatic vessel endothelial receptor-1) hyaluronan binding domain in an unliganded state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lymphatic vessel endothelial hyaluronic acid receptor 1
著者Ni, T, Bannerji, S, Jackson, D.J, Gilbert, R.J.C.
登録日2023-04-17
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A novel sliding interaction with hyaluronan underlies the mode of action of LYVE-1, the receptor for leucocyte entry and trafficking in the lymphatics
To be published
8P0L
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Crystal structure of human O-GlcNAcase in complex with an S-linked CKII peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Protein O-GlcNAcase, ...
著者Males, A, Davies, G.J, Calvelo, M, Alteen, M.G, Vocadlo, D.J, Rovira, C.
登録日2023-05-10
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human O -GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics.
Acs Catalysis, 13, 2023
7UFX
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Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional G-C rich sequence, respectively.
分子名称: DNA (5'-D(A*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(A*GP*TP*CP*CP*GP*GP*GP*CP*CP*G)-3'), ...
著者Ward, A.R, Shields, E.T, Snow, C.D.
登録日2022-03-23
公開日2023-03-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
8T27
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Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) D219A mutant bound to 6'-Sialyllactose (only Neu5Ac visible)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, ...
著者Clark, N.D, Malkowski, M.G.
登録日2023-06-05
公開日2023-10-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
6FE7
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Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-356
分子名称: (4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Brown, D.G.
登録日2017-12-29
公開日2019-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-356
To be published
8T26
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Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) D219A mutant bound to 3'-Sialyllactose (only Neu5Ac visible)
分子名称: DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, Sialidase, ...
著者Clark, N.D, Malkowski, M.G.
登録日2023-06-05
公開日2023-10-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
6RUS
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Structure of a functional properdin monomer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Properdin, SULFATE ION, ...
著者Pedersen, D.V, Andersen, G.R.
登録日2019-05-29
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
8F17
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Structure of the STUB1 TPR domain in complex with H204, an all-D Helicon Polypeptide
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ...
著者Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
登録日2022-11-04
公開日2023-02-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
8HTA
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BU of 8hta by Molmil
Solution Structure of the C65A/C167A Mutant of Human Lipocalin-type Prostaglandin D Synthase
分子名称: Prostaglandin-H2 D-isomerase
著者Miyamoto, Y, Inui, T.
登録日2022-12-20
公開日2023-04-19
最終更新日2023-08-30
実験手法SOLUTION NMR
主引用文献Structural and interaction analysis of human lipocalin-type prostaglandin D synthase with the poorly water-soluble drug NBQX.
Febs J., 290, 2023
8F15
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BU of 8f15 by Molmil
Structure of the STUB1 TPR domain in complex with H202, an all-D Helicon Polypeptide
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ...
著者Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
登録日2022-11-04
公開日2023-02-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
8F16
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BU of 8f16 by Molmil
Structure of the STUB1 TPR domain in complex with H203, an all-D Helicon Polypeptide
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ...
著者Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
登録日2022-11-04
公開日2023-02-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
6HMH
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BU of 6hmh by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) and alpha-1,2-mannobiose
分子名称: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J.
登録日2018-09-12
公開日2018-09-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
8U32
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Crystal structure of PD-1 in complex with a Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
著者Sun, D, Masureel, M.
登録日2023-09-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability.
Mabs, 16, 2024
5FYL
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BU of 5fyl by Molmil
Crystal Structure at 3.7 A Resolution of Fully Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer in Complex with Broadly Neutralizing Antibodies PGT122 and 35O22
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, 35O22 ANTIBODY FAB HEAVY CHAIN, ...
著者Stewart-Jones, G.B.E, Zhou, T, Thomas, P.V, Kwong, P.D.
登録日2016-03-08
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Trimeric HIV-1-Env Structures Define Glycan Shields from Clades A, B and G
Cell(Cambridge,Mass.), 165, 2016
8QRG
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SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NbC1, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2023-10-07
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
6S5A
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CRYSTAL STRUCTURE OF FC P329G LALA WITH ANTI FC P329G FAB
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc P329G LALA, ...
著者Ehler, A, Darowski, D, Jost, C, Stubenrauch, K, Wessels, U, Benz, J, Birk, M, Freimoser-Grundschober, A, Bruenker, P, Moessner, E, Umana, P, Kobold, S, Klein, C.
登録日2019-07-01
公開日2019-09-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献P329G-CAR-J: a novel Jurkat-NFAT-based CAR-T reporter system recognizing the P329G Fc mutation.
Protein Eng.Des.Sel., 32, 2019
7UPX
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Three RBD-down state of SARS-CoV-2 D614G spike in complex with the SP1-77 neutralizing antibody Fab fragment (local refinement of the RBD and Fab variable domains)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SP1-77 Fab heavy chain, SP1-77 Fab light chain, ...
著者Zhang, J, Luo, S, Kreutzberger, A, Kirchhausen, T, Chen, B, Haynes, B, Alt, F.
登録日2022-04-18
公開日2022-08-10
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献An antibody from single human V H -rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion.
Sci Immunol, 7, 2022
8PG0
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Human OATP1B3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHOLESTEROL, ...
著者Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P.
登録日2023-06-17
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure of human drug transporters OATP1B1 and OATP1B3.
Nat Commun, 14, 2023
6HDA
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Crystal structure of the potassium channel MtTMEM175 with cesium
分子名称: CESIUM ION, DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, ...
著者Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S.
登録日2018-08-17
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis for ion selectivity in TMEM175 K+channels.
Elife, 9, 2020
8FMX
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Langya virus F glycoprotein ectodomain in prefusion form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Low, Y.S, Isaacs, A, Modhiran, N, Watterson, D.
登録日2022-12-26
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Structure and antigenicity of divergent Henipavirus fusion glycoproteins.
Nat Commun, 14, 2023
7U4T
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Human V-ATPase in state 2 with SidK and mEAK-7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MTOR-associated protein MEAK7, ...
著者Wang, L, Fu, T.M.
登録日2022-03-01
公開日2022-08-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Identification of mEAK-7 as a human V-ATPase regulator via cryo-EM data mining.
Proc.Natl.Acad.Sci.USA, 119, 2022

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