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6O3U
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Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3 in complex with 06:0 PA
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, GLYCEROL, PGZL1.H4K3 heavy chain, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-27
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.105 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O3D
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Crystal structure of the unbound Fab fragment of the human HIV-1 neutralizing antibody PGZL1.
分子名称: GLYCEROL, PGZL1 FAB HEAVY CHAIN, PGZL1 FAB LIGHT CHAIN, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-26
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O3J
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Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41) and phosphatidic acid (06:0 PA)
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, MPER peptide, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-26
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.416 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O3L
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BU of 6o3l by Molmil
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41).
分子名称: GLYCEROL, MPER peptide, region 671-683 of HIV-1 gp41, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-26
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O41
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Crystal structure of the unbound PGZL1 germline Fab fragment (PGZL1_gVmDmJ)
分子名称: GLYCEROL, Immunoglobulin G-binding protein G (DOMAIN III), germline PGZL1_gVmDmJ heavy chain, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-27
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.465 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
3NK4
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BU of 3nk4 by Molmil
Crystal structure of full-length sperm receptor ZP3 at 2.0 A resolution
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CITRATE ANION, Zona pellucida 3
著者Monne, M, Jovine, L.
登録日2010-06-18
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into Egg Coat Assembly and Egg-Sperm Interaction from the X-Ray Structure of Full-Length ZP3.
Cell(Cambridge,Mass.), 143, 2010
3NK3
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Crystal structure of full-length sperm receptor ZP3 at 2.6 A resolution
分子名称: CITRATE ANION, Zona pellucida 3, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
著者Monne, M, Jovine, L.
登録日2010-06-18
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Insights into Egg Coat Assembly and Egg-Sperm Interaction from the X-Ray Structure of Full-Length ZP3.
Cell(Cambridge,Mass.), 143, 2010
7WBI
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BF2*1901-FLU
分子名称: Beta-2-microglobulin, ILE-ARG-HIS-GLU-ASN-ARG-MET-VAL-LEU, MHC class I alpha chain 2
著者Liu, W.J.
登録日2021-12-16
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Wider and Deeper Peptide-Binding Groove for the Class I Molecules from B15 Compared with B19 Chickens Correlates with Relative Resistance to Marek's Disease.
J Immunol., 210, 2023
7WBG
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BF2*1901/RY8
分子名称: ARG-ARG-ARG-GLU-GLN-THR-ASP-TYR, Beta-2-microglobulin, MHC class I alpha chain 2
著者Liu, W.J.
登録日2021-12-16
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Wider and Deeper Peptide-Binding Groove for the Class I Molecules from B15 Compared with B19 Chickens Correlates with Relative Resistance to Marek's Disease.
J Immunol., 210, 2023
6O42
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Crystal structure of the germline PGZL1 (PGZL1_gVmDmJ) Fab in complex with MPER peptide epitope.
分子名称: GLYCEROL, MPER peptide, region 671-683 of HIV-1 gp41, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-27
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6UKA
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BU of 6uka by Molmil
Crystal structure of RHOG and ELMO complex
分子名称: Engulfment and cell motility protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Jo, C.H, Killoran, R.C, Smith, M.J.
登録日2019-10-04
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
8KI5
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PhmA, a type I diterpene synthase without NST/DTE motif
分子名称: (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, PhmA
著者Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
登録日2023-08-22
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Biosynthesis of Platelet Activating Factor Antagonist Phomactins Revealing a New Class of Type I Diterpene Synthase
To Be Published
8KIH
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PhmA, a type I diterpene synthase without NST/DTE motif
分子名称: (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, diterpene synthase, ...
著者Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
登録日2023-08-23
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biosynthesis of Platelet Activating Factor Antagonist Phomactins Revealing a New Class of Type I Diterpene Synthase
To Be Published
7PH1
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BU of 7ph1 by Molmil
Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者Dimos, N, Leppkes, J, Koksch, B, Loll, B.
登録日2021-08-16
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment.
J.Phys.Chem.B, 126, 2022
8K6B
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BU of 8k6b by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/M165V mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6A
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BU of 8k6a by Molmil
Crystal structure of SARS-CoV-2 3CLpro S301P mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K68
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BU of 8k68 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K67
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BU of 8k67 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M165V mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6C
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BU of 8k6c by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6D
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BU of 8k6d by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant in complex with WU-04
分子名称: 3C-like proteinase nsp5, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
5ZX1
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BU of 5zx1 by Molmil
Crystal structure of ENT domain from T. brucei
分子名称: ENT
著者Shanhui, L, Xiaoming, T, Juan, M.
登録日2018-05-17
公開日2019-05-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of an ENT domain from Trypanosoma brucei.
Biochem.Biophys.Res.Commun., 505, 2018
6ZXN
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BU of 6zxn by Molmil
Cryo-EM structure of the SARS-CoV-2 spike protein bound to neutralizing nanobodies (Ty1)
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, Nanobody Ty1, ...
著者Hallberg, B.M, Das, H.
登録日2020-07-30
公開日2020-09-23
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献An alpaca nanobody neutralizes SARS-CoV-2 by blocking receptor interaction.
Nat Commun, 11, 2020
7NZN
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Structure of RET kinase domain bound to inhibitor JB-48
分子名称: 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret
著者Briggs, D.C, McDonald, N.Q.
登録日2021-03-24
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of N-Trisubstituted Pyrimidine Derivatives as Type I RET and RET Gatekeeper Mutant Inhibitors with a Novel Kinase Binding Pose.
J.Med.Chem., 65, 2022
3BYZ
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BU of 3byz by Molmil
2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors
分子名称: (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, J, Jordan, S.R, Li, V.
登録日2008-01-16
公開日2008-02-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice.
J.Med.Chem., 51, 2008
7NLL
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BU of 7nll by Molmil
SARS-CoV-2 Spike RBD (dimer) in complex with two Fu2 nanobodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Fu2, Spike protein S1
著者Das, H, Hallberg, B.M.
登録日2021-02-22
公開日2022-02-02
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献A bispecific monomeric nanobody induces spike trimer dimers and neutralizes SARS-CoV-2 in vivo.
Nat Commun, 13, 2022

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件を2024-07-03に公開中

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