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1E2J
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BU of 1e2j by Molmil
The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography
分子名称: SULFATE ION, THYMIDINE, THYMIDINE KINASE
著者Vogt, J, Scapozza, L, Schulz, G.E.
登録日2000-05-23
公開日2000-11-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography
Proteins: Struct.,Funct., Genet., 41, 2000
1E2H
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BU of 1e2h by Molmil
The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography
分子名称: SULFATE ION, THYMIDINE KINASE
著者Vogt, J, Scapozza, L, Schulz, G.E.
登録日2000-05-23
公開日2000-11-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography
Proteins: Struct.,Funct., Genet., 41, 2000
4LV1
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BU of 4lv1 by Molmil
AmpC beta-lactamase in complex with [1-(3-chlorophenyl)-1H-pyrazol-4-yl] boronic acid
分子名称: Beta-lactamase, PHOSPHATE ION, [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
8AMZ
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BU of 8amz by Molmil
Spinach 19S proteasome
分子名称: 26S proteasome non-ATPase regulatory subunit 1 homolog, 26S proteasome non-ATPase regulatory subunit 2 homolog, 26S proteasome regulatory subunit 7, ...
著者Kandolf, S, Grishkovskaya, I, Meinhart, A, Haselbach, D.
登録日2022-08-04
公開日2022-08-24
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the plant 26S proteasome
Plant Communications, 3, 2022
4LV3
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BU of 4lv3 by Molmil
AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid
分子名称: (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
7PVO
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BU of 7pvo by Molmil
Adenylosuccinate Synthetase from H. pylori in complex with IMP
分子名称: Adenylosuccinate synthetase, INOSINIC ACID, SULFATE ION
著者Narczyk, M, Bzowska, A, Maksymiuk, W.
登録日2021-10-05
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The pursuit of new alternative ways to eradicate Helicobacter pylori continues: Detailed characterization of interactions in the adenylosuccinate synthetase active site.
Int.J.Biol.Macromol., 226, 2023
8AX5
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BU of 8ax5 by Molmil
Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029881
分子名称: (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ...
著者Southall, S.M, Watson, S.P.
登録日2022-08-30
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
8AX6
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BU of 8ax6 by Molmil
Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029882
分子名称: (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ...
著者Southall, S.M, Watson, S.P.
登録日2022-08-30
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
8AX7
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BU of 8ax7 by Molmil
Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0031448
分子名称: (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, ACETATE ION, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, ...
著者Southall, S.M, Watson, S.P.
登録日2022-08-30
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
4M8T
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BU of 4m8t by Molmil
RSK2 T493M C-Terminal Kinase Domain in complex with 3-(3-(1H-pyrazol-4-yl)phenyl)-2-cyanoacrylamide
分子名称: (2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
著者Miller, R.M, Taunton, J.
登録日2013-08-13
公開日2014-10-22
最終更新日2014-11-26
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
7QVE
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BU of 7qve by Molmil
Spinach 20S proteasome
分子名称: Proteasome subunit alpha type, Proteasome subunit alpha type-3, Proteasome subunit beta, ...
著者Kandolf, S, Grishkovskaya, I, Meinhart, A, Haselbach, D.
登録日2022-01-21
公開日2022-05-25
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the plant 26S proteasome.
Plant Commun., 3, 2022
8ARL
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BU of 8arl by Molmil
Plasmodium vivax PVP01_0000100 TRAg domain
分子名称: Tryptophan-rich antigen
著者Kundu, P, Deane, J.E, Rayner, J.C.
登録日2022-08-17
公開日2023-07-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The structure of a Plasmodium vivax Tryptophan Rich Antigen domain suggests a lipid binding function for a pan-Plasmodium multi-gene family.
Nat Commun, 14, 2023
8ARD
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BU of 8ard by Molmil
Myosin VI proximal tail domain, dimeric
分子名称: Unconventional myosin-VI
著者Kikuti, C.M, Sirkia, H, Houdusse, A.
登録日2022-08-16
公開日2023-08-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.219 Å)
主引用文献How myosin VI traps its off-state, is activated and dimerizes.
Nat Commun, 14, 2023
4LV0
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BU of 4lv0 by Molmil
AmpC beta-lactamase in complex with m-aminophenyl boronic acid
分子名称: Beta-lactamase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4MB8
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BU of 4mb8 by Molmil
Evolutionary history and metabolic insights of ancient mammalian uricases
分子名称: ACETATE ION, Uricase
著者Ortlund, E.O, Murphy, M.N.
登録日2013-08-19
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4009 Å)
主引用文献Evolutionary history and metabolic insights of ancient mammalian uricases.
Proc.Natl.Acad.Sci.USA, 111, 2014
4LV2
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BU of 4lv2 by Molmil
AmpC beta-lactamase in complex with [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl] boronic acid
分子名称: Beta-lactamase, PHOSPHATE ION, [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
8BJA
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BU of 8bja by Molmil
Structure of the human UBR5 Dimer.
分子名称: E3 ubiquitin-protein ligase UBR5, ZINC ION
著者Hodakova, Z, Grishkovskaya, I, Haselbach, D.
登録日2022-11-03
公開日2023-07-12
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structure of the chain-elongating E3 ubiquitin ligase UBR5.
Embo J., 42, 2023
7RDA
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BU of 7rda by Molmil
Crystal structure of PfCSP peptide 21 with vaccine-elicited human anti-malaria antibody m43.138
分子名称: Circumsporozoite protein, antibody m43.138 heavy chain, antibody m43.138 light chain
著者Xu, K, Kwong, P.D.
登録日2021-07-09
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Vaccination in a humanized mouse model elicits highly protective PfCSP-targeting anti-malarial antibodies.
Immunity, 54, 2021
7RD9
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BU of 7rd9 by Molmil
Crystal structure of PfCSP peptide 21 with vaccine-elicited human anti-malaria antibody m43.159
分子名称: Circumsporozoite protein, antibody m43.159 heavy chain, antibody m43.159 light chain
著者Xu, K, Kwong, P.D.
登録日2021-07-09
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Vaccination in a humanized mouse model elicits highly protective PfCSP-targeting anti-malarial antibodies.
Immunity, 54, 2021
7RD3
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BU of 7rd3 by Molmil
Crystal structure of PfCSP peptide 21 with vaccine-elicited human anti-malaria antibody m42.126
分子名称: Circumsporozoite protein, antibody m42.126 heavy chain, antibody m42.126 light chain
著者Xu, K, Kwong, P.D.
登録日2021-07-09
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Vaccination in a humanized mouse model elicits highly protective PfCSP-targeting anti-malarial antibodies.
Immunity, 54, 2021
7RAJ
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BU of 7raj by Molmil
Structure of PfCSP peptide 21 with antibody iGL-CIS43.D3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ASN-PRO-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL-ASP-PRO-ASN-ALA-ASN, ZINC ION, ...
著者Tripathi, P, Kwong, P.D.
登録日2021-07-01
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Vaccination in a humanized mouse model elicits highly protective PfCSP-targeting anti-malarial antibodies.
Immunity, 54, 2021
7RCS
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BU of 7rcs by Molmil
Crystal structure of PfCSP peptide 21 with vaccine-elicited human anti-malaria antibody m43.160
分子名称: Circumsporozoite protein, antibody m43.160 heavy chain, antibody m43.160 light chain
著者Xu, K, Kwong, P.D.
登録日2021-07-08
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Vaccination in a humanized mouse model elicits highly protective PfCSP-targeting anti-malarial antibodies.
Immunity, 54, 2021
7RD4
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BU of 7rd4 by Molmil
Crystal structure of PfCSP peptide 21 with vaccine-elicited human anti-malaria antibody m43.149
分子名称: Circumsporozoite protein, antibody m43.149 heavy chain, antibody m43.149 light chain
著者Xu, K, Kwong, P.D.
登録日2021-07-09
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Vaccination in a humanized mouse model elicits highly protective PfCSP-targeting anti-malarial antibodies.
Immunity, 54, 2021
7RQQ
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BU of 7rqq by Molmil
Structure of chimeric antibody F10heavy_L9light with PfCSP peptide NANPNVDP
分子名称: 1,2-ETHANEDIOL, F10 Heavy Chain, L9 Kappa Chain, ...
著者Hurlburt, N.K, Pancera, M.
登録日2021-08-06
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The light chain of the L9 antibody is critical for binding circumsporozoite protein minor repeats and preventing malaria.
Cell Rep, 38, 2022
7RQP
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BU of 7rqp by Molmil
Structure of PfCSP NPNV binding antibody L9
分子名称: L9 Heavy Chain, L9 Kappa Chain
著者Hurlburt, N.K, Pancera, M.
登録日2021-08-06
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献The light chain of the L9 antibody is critical for binding circumsporozoite protein minor repeats and preventing malaria.
Cell Rep, 38, 2022

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