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4FFV
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BU of 4ffv by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab
分子名称: 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
4FFW
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BU of 4ffw by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin
分子名称: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ...
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
8CO3
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BU of 8co3 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
分子名称: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 12, ZINC ION
著者Leitans, J, Dvinskis, E, Tars, K.
登録日2023-02-26
公開日2023-12-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
8CO0
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BU of 8co0 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
分子名称: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
著者Leitans, J, Tars, K.
登録日2023-02-25
公開日2023-12-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
3QGT
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BU of 3qgt by Molmil
Crystal structure of Wild-type PfDHFR-TS COMPLEXED WITH NADPH, dUMP AND PYRIMETHAMINE
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Chitnumsub, P, Yuthavong, Y.
登録日2011-01-24
公開日2011-06-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Trypanosomal dihydrofolate reductase reveals natural antifolate resistance
Acs Chem.Biol., 6, 2011
9JH6
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BU of 9jh6 by Molmil
Activation mechanism of CYSLTR2 by C20:0
分子名称: Cer(d18:0/20:0), Cysteinyl leukotriene receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, J.L, Sun, J.P, Yu, X.
登録日2024-09-09
公開日2025-04-30
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Sensing ceramides by CYSLTR2 and P2RY6 to aggravate atherosclerosis.
Nature, 641, 2025
6EOY
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BU of 6eoy by Molmil
Transthyretin in complex with 4-(1,3-Benzothiazol-2-yl)-2-methylaniline
分子名称: 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline, Transthyretin
著者Leite, J.P, Gales, L.
登録日2017-10-10
公開日2021-10-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease.
Eur.J.Med.Chem., 226, 2021
8D36
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BU of 8d36 by Molmil
Crystal structure of SARS-CoV-2 fusion peptide in complex with neutralizing antibody COV44-62
分子名称: Neutralizing antibody COV44-62 heavy chain, Neutralizing antibody COV44-62 light chain, Spike protein S2 fusion peptide
著者Yuan, M, Lee, C.C.D, Wilson, I.A.
登録日2022-05-31
公開日2022-07-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8D6Z
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BU of 8d6z by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27
分子名称: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
著者Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
登録日2022-06-06
公開日2022-07-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
6T81
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Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide.
分子名称: AZIDE ION, BICINE, SODIUM ION, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-10-23
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T4N
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BU of 6t4n by Molmil
Human Carbonic anhydrase II bound by 2,4,6-trimethylbenzenesulfonamide
分子名称: 2,4,6-trimethylbenzenesulfonamide, 2-piperazin-1-ylethanol, BICINE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-10-14
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T5C
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BU of 6t5c by Molmil
Human Carbonic anhydrase II bound by anthracene-9-sulfonamide
分子名称: BICINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-10-15
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T5Q
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BU of 6t5q by Molmil
Human Carbonic anhydrase XII bound by 3,5-diphenylbenzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 12, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-10-16
公開日2020-10-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
3E4H
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BU of 3e4h by Molmil
Crystal structure of the cyclotide varv F
分子名称: Varv peptide F,Varv peptide F
著者Hu, S.H.
登録日2008-08-11
公開日2009-02-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Combined X-ray and NMR Analysis of the Stability of the Cyclotide Cystine Knot Fold That Underpins Its Insecticidal Activity and Potential Use as a Drug Scaffold
J.Biol.Chem., 284, 2009
3LQ8
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BU of 3lq8 by Molmil
Structure of the kinase domain of c-Met bound to XL880 (GSK1363089)
分子名称: Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Lougheed, J.C, Stout, T.J.
登録日2010-02-08
公開日2010-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Inhibition of tumor cell growth, invasion, and metastasis by EXEL-2880 (XL880, GSK1363089), a novel inhibitor of HGF and VEGF receptor tyrosine kinases.
Cancer Res., 69, 2009
8XEP
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BU of 8xep by Molmil
Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin
分子名称: SULFATE ION, Type IV effector MavL, Ubiquitin
著者Tan, J.X, Wang, X.F, Zhou, Y, Zhu, Y.Q.
登録日2023-12-12
公開日2024-05-01
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
8PWW
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BU of 8pww by Molmil
PfRH5 bound to monoclonal antibody MAD8-151
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Farrell, B, Higgins, M.K.
登録日2023-07-21
公開日2024-06-05
最終更新日2024-12-18
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Natural malaria infection elicits rare but potent neutralizing antibodies to the blood-stage antigen RH5.
Cell, 187, 2024
8PWU
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PfRH5 bound to monoclonal antibody MAD10-255
分子名称: Reticulocyte-binding protein homolog 5, monoclonal antibody MAD10-255
著者Farrell, B, Higgins, M.K.
登録日2023-07-21
公開日2024-06-05
最終更新日2024-12-18
実験手法X-RAY DIFFRACTION (3.148 Å)
主引用文献Natural malaria infection elicits rare but potent neutralizing antibodies to the blood-stage antigen RH5.
Cell, 187, 2024
8Q5D
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BU of 8q5d by Molmil
PfRH5 bound to monoclonal antibody MAD10-466
分子名称: Monoclonal antibody MAD10-466 heavy chain, Monoclonal antibody MAD10-466 light chain, Reticulocyte-binding protein homolog 5
著者Farrell, B, Higgins, M.K.
登録日2023-08-08
公開日2024-06-05
最終更新日2024-12-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Natural malaria infection elicits rare but potent neutralizing antibodies to the blood-stage antigen RH5.
Cell, 187, 2024
8PWV
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PfRH5 bound to monoclonal antibody MAD8-502
分子名称: Reticulocyte-binding protein homolog 5, monoclonal antibody MAD8-502
著者Farrell, B, Higgins, M.K.
登録日2023-07-21
公開日2024-06-05
最終更新日2024-12-18
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Natural malaria infection elicits rare but potent neutralizing antibodies to the blood-stage antigen RH5.
Cell, 187, 2024
8PWX
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BU of 8pwx by Molmil
PfRH5 bound to monoclonal antibody R5.008
分子名称: GLYCEROL, Reticulocyte-binding protein homolog 5, scFv fragment for antibody R5.008
著者Farrell, B, Higgins, M.K.
登録日2023-07-21
公開日2024-06-05
最終更新日2024-12-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Natural malaria infection elicits rare but potent neutralizing antibodies to the blood-stage antigen RH5.
Cell, 187, 2024
8QKS
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Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to R5.034
分子名称: Immunoglobulin lambda variable 1-36, R5034HV, Reticulocyte-binding protein-like protein 5
著者Wright, N.D, Barrett, J.R, Bradshaw, W.J, Paterson, N.G, MacLean, E.M, Ferreira, L, McHugh, K, Von Delft, F, Koekemoer, L, Draper, S.J.
登録日2023-09-16
公開日2024-07-31
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (3.994 Å)
主引用文献Analysis of the diverse antigenic landscape of the malaria protein RH5 identifies a potent vaccine-induced human public antibody clonotype.
Cell, 187, 2024
8QKR
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BU of 8qkr by Molmil
Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to R5.251
分子名称: R5251VHCH, R5251VLCL, Reticulocyte-binding protein-like protein 5
著者Wright, N.D, Barrett, J.R, Bradshaw, W.J, Paterson, N.G, MacLean, E.M, Ferreira, L, McHugh, K, Koekemoer, L, Draper, S.J.
登録日2023-09-16
公開日2024-07-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.234 Å)
主引用文献Analysis of the diverse antigenic landscape of the malaria protein RH5 identifies a potent vaccine-induced human public antibody clonotype.
Cell, 187, 2024
9JQL
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BU of 9jql by Molmil
The C-terminal structure of N6-methyladenosine deaminase
分子名称: Putative adenine deaminase YerA
著者Xie, W, Jia, Q.
登録日2024-09-27
公開日2025-06-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The C-terminal structure of the N6-methyladenosine deaminase YerA and its role in deamination.
Biochem.J., 482, 2025
8S5I
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BU of 8s5i by Molmil
Full-length human cystathionine beta-synthase with C-terminal 6xHis-tag, basal state, single particle reconstruction
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE
著者McCorvie, T.J, Yue, W.W.
登録日2024-02-23
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024

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件を2025-07-09に公開中

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