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5YIJ
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BU of 5yij by Molmil
Structure of a Legionella effector with substrates
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin
著者Feng, Y, Mu, Y, Wang, H.
登録日2017-10-05
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
2G89
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BU of 2g89 by Molmil
L. casei thymidylate synthase Y261A in complex with substrate, dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
著者Finer-Moore, J.S, Stroud, R.M.
登録日2006-03-02
公開日2006-03-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2G86
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BU of 2g86 by Molmil
L. casei thymidylate synthase Y261F in complex with substrate, dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
著者Finer-Moore, J.S, Stroud, R.M.
登録日2006-03-01
公開日2006-03-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
5AGS
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BU of 5ags by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
6JV3
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BU of 6jv3 by Molmil
Crystal structure of 5-hydoxylmethylcytosine containing decamer dsDNA
分子名称: DNA (5'-D(*CP*CP*AP*GP*(5HC)P*GP*CP*TP*GP*G)-3')
著者Zhang, L, Wang, Y.X.
登録日2019-04-15
公開日2019-07-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
6JV5
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BU of 6jv5 by Molmil
Crystal structure of 5-methylcytosine containing decamer dsDNA
分子名称: DNA (5'-D(*CP*CP*AP*GP*(5CM)P*GP*CP*TP*GP*G)-3')
著者Zhang, L, Wang, Y.X.
登録日2019-04-15
公開日2019-07-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
6DL2
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BU of 6dl2 by Molmil
BRD4 bromodomain 1 in complex with HYB157
分子名称: 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4
著者Meagher, J.L, Stuckey, J.A.
登録日2018-05-31
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression.
J. Med. Chem., 61, 2018
7L5B
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BU of 7l5b by Molmil
Crystallographic structure of neutralizing antibody 2-15 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD).
分子名称: 2-15 Heavy chain, 2-15 Light Chain, Spike protein S1
著者Reddem, E.R, Shapiro, L.
登録日2020-12-21
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
7KS9
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BU of 7ks9 by Molmil
Cryo-EM structure of prefusion SARS-CoV-2 spike glycoprotein in complex with 910-30 Fab
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, 910-30 Fab heavy chain, ...
著者Cerutti, G, Shapiro, L.
登録日2020-11-21
公開日2021-02-10
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (4.75 Å)
主引用文献Paired heavy- and light-chain signatures contribute to potent SARS-CoV-2 neutralization in public antibody responses.
Cell Rep, 37, 2021
7KN3
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BU of 7kn3 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ...
著者Liu, H, Zhu, X, Wilson, I.A.
登録日2020-11-04
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
7KN4
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BU of 7kn4 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-E6 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S-E6 Fab heavy chain, S-E6 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2020-11-04
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
7LS9
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BU of 7ls9 by Molmil
Cryo-EM structure of neutralizing antibody 1-57 in complex with prefusion SARS-CoV-2 spike glycoprotein
分子名称: 1-57 Fab heavy chain, 1-57 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cerutti, G, Shapiro, L.
登録日2021-02-17
公開日2021-03-17
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Structural basis for accommodation of emerging B.1.351 and B.1.1.7 variants by two potent SARS-CoV-2 neutralizing antibodies.
Structure, 29, 2021
7LSS
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BU of 7lss by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-7
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, Fab 2-7 variable heavy chain, ...
著者Rapp, M, Shapiro, L.
登録日2021-02-18
公開日2021-03-17
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Structural basis for accommodation of emerging B.1.351 and B.1.1.7 variants by two potent SARS-CoV-2 neutralizing antibodies.
Structure, 29, 2021
5FCS
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BU of 5fcs by Molmil
Diabody
分子名称: Diabody, SULFATE ION
著者Mosyak, L, Root, A.
登録日2015-12-15
公開日2016-12-14
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Development of PF-06671008, a Highly Potent Anti-P-cadherin/Anti-CD3 Bispecific DART Molecule with Extended Half-Life for the Treatment of Cancer.
Antibodies, 5, 2016
3LKZ
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BU of 3lkz by Molmil
Structural and functional analyses of a conserved hydrophobic pocket of flavivirus methyltransferase
分子名称: GLYCEROL, Non-structural protein 5, SINEFUNGIN
著者Liu, L.H, Li, H.M.
登録日2010-01-28
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional analyses of a conserved hydrophobic pocket of flavivirus methyltransferase.
J.Biol.Chem., 285, 2010
7YKJ
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BU of 7ykj by Molmil
Omicron RBDs bound with P3E6 Fab (one up and one down)
分子名称: P3E6 heavy chain, P3E6 light chain, Spike glycoprotein
著者Tang, B, Dang, S.
登録日2022-07-22
公開日2022-12-28
最終更新日2023-01-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
6PGO
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BU of 6pgo by Molmil
Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor
分子名称: 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mohr, C.
登録日2019-06-24
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
6PGP
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BU of 6pgp by Molmil
Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor
分子名称: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one, CALCIUM ION, GTPase KRas, ...
著者Mohr, C, Whittington, D.A.
登録日2019-06-24
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
5TRF
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BU of 5trf by Molmil
MDM2 in complex with SAR405838
分子名称: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2016-10-26
公開日2016-11-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
6AGG
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BU of 6agg by Molmil
Crystal structure of agmatine-AMPPCP-Mg complexed TiaS (tRNAIle2 agmatidine synthetase)
分子名称: ACETATE ION, AGMATINE, AMMONIUM ION, ...
著者Dong, J.S, Gong, W.M.
登録日2018-08-11
公開日2018-09-05
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.706 Å)
主引用文献Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
6PUF
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BU of 6puf by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Awad, W, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUM
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BU of 6pum by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU
分子名称: 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ...
著者Awad, W, Keller, A.N, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUK
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BU of 6puk by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-JYM72
分子名称: 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol, ACETATE ION, Beta-2-microglobulin, ...
著者Awad, W, Keller, A.N, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUL
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BU of 6pul by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU
分子名称: 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, ACETATE ION, Beta-2-microglobulin, ...
著者Awad, W, Keller, A.N, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUE
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BU of 6pue by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU
分子名称: 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ...
著者Awad, W, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020

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