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6TNC
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BU of 6tnc by Molmil
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 46
分子名称: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
著者Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
登録日2019-12-06
公開日2020-05-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
6TN9
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BU of 6tn9 by Molmil
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16
分子名称: Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone
著者Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
登録日2019-12-06
公開日2020-05-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
6TND
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BU of 6tnd by Molmil
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79
分子名称: BAY 1217389, Dual specificity protein kinase TTK
著者Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
登録日2019-12-06
公開日2020-05-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
6TNB
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BU of 6tnb by Molmil
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41
分子名称: (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK
著者Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
登録日2019-12-06
公開日2020-05-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
2MGR
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BU of 2mgr by Molmil
Structure of Plasmodium Yoelii Merozoite Surface Protein 1 - C-terminal Domain, E28K mutant
分子名称: Merozoite surface protein 1
著者Curd, R.D, Birdsall, B, Kadekoppala, M, Ogun, S, Kelly, G, Holder, A.A.
登録日2013-11-04
公開日2014-02-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structure of Plasmodium yoelii merozoite surface protein 119, antibody specificity and implications for malaria vaccine design
OPEN BIOLOGY, 4, 2014
2MGP
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BU of 2mgp by Molmil
Structure of Plasmodium Yoelii Merozoite Surface Protein 1 - C-terminal Domain
分子名称: Merozoite surface protein 1
著者Curd, R.D, Birdsall, B, Kadekoppala, M, Ogun, S, Kelly, G, Holder, A.A.
登録日2013-11-03
公開日2014-02-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The structure of Plasmodium yoelii merozoite surface protein 119, antibody specificity and implications for malaria vaccine design
OPEN BIOLOGY, 4, 2014
7LG6
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BU of 7lg6 by Molmil
BG505 SOSIP.v5.2 in complex with VRC40.01 and RM19R Fabs
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, Envelope glycoprotein gp120, ...
著者Cottrell, C.A, Torres, J.L, Wu, N.R, Ward, A.B.
登録日2021-01-19
公開日2021-09-15
最終更新日2021-11-17
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structural basis of glycan276-dependent recognition by HIV-1 broadly neutralizing antibodies.
Cell Rep, 37, 2021
5EOW
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BU of 5eow by Molmil
Crystal Structure of 6-Hydroxynicotinic Acid 3-Monooxygenase from Pseudomonas putida KT2440
分子名称: 6-hydroxynicotinate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
著者Yuen, M.E, Zhen, W, Gerwig, T.J, Story, R.W, Kopp, M, Nakamoto, K, Snider, M.J, Hicks, K.A.
登録日2015-11-10
公開日2016-06-08
最終更新日2016-07-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Biochemical Characterization of 6-Hydroxynicotinic Acid 3-Monooxygenase, A Novel Decarboxylative Hydroxylase Involved in Aerobic Nicotinate Degradation.
Biochemistry, 55, 2016
6XRJ
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BU of 6xrj by Molmil
Crystal structure of the disulfide linked DH717.1 Fab dimer, derived from a macaque HIV-1 vaccine-induced Env glycan-reactive neutralizing antibody B cell lineage
分子名称: DH717.1 heavy chain Fab fragment, DH717.1 light chain Fab fragment
著者Manne, K, Nicely, N.I, Acharya, P.
登録日2020-07-13
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
6X2B
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BU of 6x2b by Molmil
SARS-CoV-2 u1S2q 2-RBD Up Spike Protein Trimer
分子名称: Spike glycoprotein
著者Henderson, R, Acharya, P.
登録日2020-05-20
公開日2020-05-27
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Controlling the SARS-CoV-2 spike glycoprotein conformation.
Nat.Struct.Mol.Biol., 27, 2020
6X2C
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BU of 6x2c by Molmil
SARS-CoV-2 u1S2q All Down RBD State Spike Protein Trimer
分子名称: Spike glycoprotein
著者Henderson, R, Acharya, P.
登録日2020-05-20
公開日2020-05-27
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Controlling the SARS-CoV-2 spike glycoprotein conformation.
Nat.Struct.Mol.Biol., 27, 2020
6X2A
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BU of 6x2a by Molmil
SARS-CoV-2 u1S2q 1-RBD Up Spike Protein Trimer
分子名称: Spike glycoprotein
著者Henderson, R, Acharya, P.
登録日2020-05-20
公開日2020-05-27
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Controlling the SARS-CoV-2 spike glycoprotein conformation.
Nat.Struct.Mol.Biol., 27, 2020
6X29
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BU of 6x29 by Molmil
SARS-CoV-2 rS2d Down State Spike Protein Trimer
分子名称: Spike glycoprotein
著者Henderson, R, Acharya, P.
登録日2020-05-20
公開日2020-05-27
最終更新日2020-10-21
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Controlling the SARS-CoV-2 spike glycoprotein conformation.
Nat.Struct.Mol.Biol., 27, 2020
6VTU
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BU of 6vtu by Molmil
DH717.1 Fab monomer in complex with man9 glycan
分子名称: DH717.1 heavy chain, DH717.1 light chain, GLYCEROL, ...
著者Fera, D, Bronkema, N.
登録日2020-02-13
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
7L02
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BU of 7l02 by Molmil
Cryo-EM structure of SARS-CoV-2 2P S ectodomain bound to one copy of domain-swapped antibody 2G12
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, 2G12 heavy chain, ...
著者Manne, K, Henderson, R, Acharya, P.
登録日2020-12-10
公開日2020-12-30
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
7L09
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BU of 7l09 by Molmil
Cryo-EM structure of SARS-CoV-2 2P S ectodomain bound domain-swapped antibody 2G12 from masked 3D refinement
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, 2G12 heavy chain, ...
著者Manne, K, Henderson, R, Acharya, P.
登録日2020-12-11
公開日2020-12-30
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
7L6O
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BU of 7l6o by Molmil
Cryo-EM structure of HIV-1 Env CH848.3.D0949.10.17chim.6R.DS.SOSIP.664
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, CH848.3.D0949.10.17chim.6R.DS.SOSIP.664 - gp120, ...
著者Manne, K, Edwards, R.J, Acharya, P.
登録日2020-12-23
公開日2021-04-14
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
7LAB
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BU of 7lab by Molmil
Structure of SARS-CoV-2 S protein in complex with N-terminal domain antibody DH1052
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, DH1052 heavy chain, ...
著者Manne, K, Acharya, P.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7LAA
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BU of 7laa by Molmil
Structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1041
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, DH1041 heavy chain, ...
著者Manne, K, Acharya, P.
登録日2021-01-06
公開日2021-03-17
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7LUA
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BU of 7lua by Molmil
Cryo-EM structure of DH898.1 Fab-dimer bound near the CD4 binding site of HIV-1 Env CH848 SOSIP trimer
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, CH848 SOSIP gp120, ...
著者Manne, K, Edwards, R.J, Acharya, P.
登録日2021-02-21
公開日2021-03-17
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
7LU9
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BU of 7lu9 by Molmil
Cryo-EM structure of DH851.3 bound to HIV-1 CH505 Env
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Manne, K, Edwards, R.J, Acharya, P.
登録日2021-02-21
公開日2021-03-24
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
7LD1
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BU of 7ld1 by Molmil
Structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1047
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, DH1047 heavy chain, ...
著者Manne, K, Acharya, P.
登録日2021-01-12
公開日2021-01-27
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7LCN
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BU of 7lcn by Molmil
Structure of SARS-CoV-2 S protein in complex with N-terminal domain antibody DH1050.1
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, DH1050.1 heavy chain, ...
著者Manne, K, Acharya, P.
登録日2021-01-11
公開日2021-01-27
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7L06
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BU of 7l06 by Molmil
Cryo-EM structure of SARS-CoV-2 2P S ectodomain bound to two copies of domain-swapped antibody 2G12
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, 2G12 heavy chain, ...
著者Manne, K, Henderson, R, Acharya, P.
登録日2020-12-11
公開日2020-12-30
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
7L6M
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BU of 7l6m by Molmil
Cryo-EM structure of DH898.1 Fab-dimer from local refinement of the Fab-dimer bound near the CD4 binding site of HIV-1 Env CH848 SOSIP trimer
分子名称: DH898.1 Fab heavy chain, DH898.1 Fab light chain
著者Manne, K, Edwards, R.J, Acharya, P.
登録日2020-12-23
公開日2021-02-10
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021

 

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