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6VWC
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BU of 6vwc by Molmil
Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors
分子名称: 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1
著者Judge, R.A, Judd, A.S.
登録日2020-02-19
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor.
Acs Med.Chem.Lett., 11, 2020
7TB4
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BU of 7tb4 by Molmil
Cryo-EM structure of the spike of SARS-CoV-2 Omicron variant of concern
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, Surface glycoprotein
著者Zhou, T, Tsybovsky, T, Kwong, P.D.
登録日2021-12-21
公開日2022-01-12
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Antibodies with potent and broad neutralizing activity against antigenically diverse and highly transmissible SARS-CoV-2 variants.
Biorxiv, 2021
4C13
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BU of 4c13 by Molmil
x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys
分子名称: CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ...
著者Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J.
登録日2013-08-09
公開日2013-10-02
最終更新日2021-03-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy.
Nat.Chem.Biol., 2021
4ZPV
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BU of 4zpv by Molmil
Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D12 Fab Heavy chain, D12 Fab light chain, ...
著者Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2015-05-08
公開日2015-10-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Evaluation of candidate vaccine approaches for MERS-CoV.
Nat Commun, 6, 2015
4ZPW
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BU of 4zpw by Molmil
Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain).
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike glycoprotein
著者Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2015-05-08
公開日2015-08-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.023 Å)
主引用文献Evaluation of candidate vaccine approaches for MERS-CoV.
Nat Commun, 6, 2015
5U1A
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BU of 5u1a by Molmil
Ferritin with Gc MtrE loop 1 inserted at His34
分子名称: CHLORIDE ION, FE (III) ION, Ferritin,MtrE protein chimera, ...
著者Wang, S.
登録日2016-11-28
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of ferritin nanoparticle immunogens displaying antigenic loops of Neisseria gonorrhoeae.
FEBS Open Bio, 7, 2017
5U1B
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BU of 5u1b by Molmil
Ferritin with Gc MtrE loop2 inserted at the N-terminus
分子名称: MtrE protein,Ferritin chimera
著者Wang, S.
登録日2016-11-28
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structure-based design of ferritin nanoparticle immunogens displaying antigenic loops of Neisseria gonorrhoeae.
FEBS Open Bio, 7, 2017
4ZZ3
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BU of 4zz3 by Molmil
Human GAR transformylase in complex with GAR and pemetrexed
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Deis, S.M, Dann III, C.E.
登録日2015-05-22
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
4ZZ1
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BU of 4zz1 by Molmil
HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({4-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-2-CARBONYL}-AMINO)-PENTANEDIOIC ACID
分子名称: (S)-2-({4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3
著者Deis, S.M, Dann III, C.E.
登録日2015-05-22
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.351 Å)
主引用文献6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
4ZZ2
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BU of 4zz2 by Molmil
HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({5-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-3-CARBONYL}-AMINO)-PENTANEDIOIC ACID
分子名称: (S)-2-({5-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3
著者Deis, S.M, Dann III, C.E.
登録日2015-05-22
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
6C6Z
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BU of 6c6z by Molmil
Crystal structure of potent neutralizing antibody CDC2-C2 in complex with MERS-CoV S1 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody CDC2-C2 heavy chain, Antibody CDC2-C2 light chain, ...
著者Wang, N, McLellan, J.S.
登録日2018-01-19
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
7DWC
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BU of 7dwc by Molmil
Bacteroides thetaiotaomicron VPI5482 BTAxe1
分子名称: Xylanase
著者Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C.
登録日2021-01-17
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron.
J.Agric.Food Chem., 69, 2021
8SBD
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BU of 8sbd by Molmil
Cryo-EM structure of insulin amyloid-like fibril that is composed of two antiparallel protofilaments
分子名称: Insulin A chain, Insulin B chain
著者Wang, L.W, Hall, C, Uchikawa, E, Chen, D.L, Choi, E, Zhang, X.W, Bai, X.C.
登録日2023-04-03
公開日2023-08-30
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of insulin fibrillation.
Sci Adv, 9, 2023
6C6Y
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BU of 6c6y by Molmil
Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain
分子名称: JC57-14 Heavy chain, JC57-14 Light chain, SULFATE ION, ...
著者Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2018-01-19
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
6C6X
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BU of 6c6x by Molmil
Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque.
分子名称: JC57-14 Heavy chain, JC57-14 Light chain
著者Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2018-01-19
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
6EGF
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BU of 6egf by Molmil
Crystal structure of the inactive unphosphorylated IRAK4 kinase domain bound to AMP-PNP
分子名称: Interleukin-1 receptor-associated kinase 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Ferrao, R, Wu, H.
登録日2018-08-19
公開日2019-02-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EGD
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BU of 6egd by Molmil
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
著者Ferrao, R, Wu, H.
登録日2018-08-19
公開日2019-02-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
7WTK
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BU of 7wtk by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv286
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, Heavy chain of XGv286, ...
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTJ
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BU of 7wtj by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv286
分子名称: Heavy chain of XGv286, Light chain of XGv286, Spike protein S1
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTG
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BU of 7wtg by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv051
分子名称: Heavy chain of XGv051, Light chain of XGv051, Spike protein S1
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTH
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BU of 7wth by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv264
分子名称: Heavy chain of XGv264, Light chain of XGv264, Spike protein S1
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTF
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BU of 7wtf by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv051
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, Heavy chain of XGv051, ...
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTI
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BU of 7wti by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv264
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv264, Light chain of XGv264, ...
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-21
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
6EGE
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BU of 6ege by Molmil
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
著者Ferrao, R, Liu, Q, Wu, H.
登録日2018-08-19
公開日2019-02-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6UY0
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BU of 6uy0 by Molmil
Cryo-EM structure of wild-type bovine multidrug resistance protein 1 (MRP1) under active turnover conditions
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
著者Johnson, Z.L, Chen, J.
登録日2019-11-09
公開日2020-06-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Characterization of the kinetic cycle of an ABC transporter by single-molecule and cryo-EM analyses.
Elife, 9, 2020

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