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6D1Y
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BU of 6d1y by Molmil
Crystal structure of Tyrosine-protein kinase receptor in complex with 2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide Inhibitor
Descriptor: 2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide, High affinity nerve growth factor receptor
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
7CYD
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BU of 7cyd by Molmil
Cryo-EM structures of Alphacoronavirus spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G.
Deposit date:2020-09-03
Release date:2020-12-23
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes.
Nat Commun, 12, 2021
6AYN
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BU of 6ayn by Molmil
Structure of cetuximab with aminoheptanoic acid-linked N-(3-aminopropyl)-L-arginine meditope variant
Descriptor: Cetuximab Fab heavy chain, Cetuximab Fab light chain, Cyclic meditope
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2017-09-08
Release date:2017-12-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Meditope-Fab interaction: threading the hole.
Acta Crystallogr F Struct Biol Commun, 73, 2017
7D6I
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BU of 7d6i by Molmil
A neutralizing MAb targeting receptor-binding-domain of SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of GH12-Fab, Light chain of GH12-Fab, ...
Authors:Shi, R, Qi, J.X, Gao, G.F, Yan, J.H.
Deposit date:2020-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:A neutralizing MAb targeting receptor-binding-domain of SARS-CoV-2
To Be Published
6D22
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BU of 6d22 by Molmil
Crystal structure of Tyrosine-protein kinase receptor
Descriptor: Tyrosine-protein kinase receptor
Authors:Greasley, S.E, Brown, D.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
7FBI
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BU of 7fbi by Molmil
Cryo-EM structure of EBV gB in complex with nAbs 3A3 and 3A5
Descriptor: 3A3 heavy chain, 3A3 light chain, 3A5 heavy chain, ...
Authors:Zheng, Q, Li, S, Zha, Z, Hong, J, Chen, Y, Zhang, X.
Deposit date:2021-07-10
Release date:2022-07-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of EBV gB in complex with nAbs 3A3 and 3A5
To Be Published
7FJC
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BU of 7fjc by Molmil
Crystal structure of SARS-CoV-2 Beta RBD complexed with P36-5D2 Fab
Descriptor: P36-5D2 heavy chain, P36-5D2 light chain, Spike protein S1, ...
Authors:Zhang, L.Q, Wang, X.Q, Shan, S.S, Lan, J.
Deposit date:2021-08-03
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Crystal structure of SARS-CoV-2 Beta RBD complexed with P36-5D2 Fab
To Be Published
6ARU
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BU of 6aru by Molmil
Structure of Cetuximab Fab mutant in complex with EGFR extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab mutant heavy chain Fab fragment,Immunoglobulin gamma-1 heavy chain, ...
Authors:Christie, M, Christ, D.
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Cetuximab Fab mutant in complex with EGFR extracellular domain
To Be Published
6AXP
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BU of 6axp by Molmil
Structure of cetuximab with aminoheptanoic acid-linked n-octylarginine meditope variant
Descriptor: SULFATE ION, cetuximab Fab heavy chain, cetuximab Fab light chain, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2017-09-07
Release date:2017-12-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.484 Å)
Cite:Meditope-Fab interaction: threading the hole.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6ATZ
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BU of 6atz by Molmil
HLA-DRB1*1402 in complex with citrullinated fibrinogen peptide
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta chain, ...
Authors:Ting, Y.T, Scally, S.W, Rossjohn, J.
Deposit date:2017-08-29
Release date:2017-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
6D20
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BU of 6d20 by Molmil
Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one and 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide Inhibitors
Descriptor: 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide, High affinity nerve growth factor receptor
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
6D1Z
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BU of 6d1z by Molmil
Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one Inhibitor
Descriptor: 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide, GLYCEROL, ...
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
7C2S
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BU of 7c2s by Molmil
Helical reconstruction of Dengue virus serotype 3 complexed with Fab C10
Descriptor: Heavy chain of Fab C10, envelope protein, light chain of Fab C10
Authors:Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M.
Deposit date:2020-05-09
Release date:2020-07-08
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (10.4 Å)
Cite:High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
7C2T
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BU of 7c2t by Molmil
Helical reconstruction of Zika virus complexed with Fab C10
Descriptor: Heavy chain from Fab C10, Light chain from Fab C10, M protein, ...
Authors:Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M.
Deposit date:2020-05-09
Release date:2020-07-08
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
6CM3
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BU of 6cm3 by Molmil
BG505 SOSIP in complex with sCD4, 17b, 8ANC195
Descriptor: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, H, Bjorkman, P.J.
Deposit date:2018-03-02
Release date:2018-10-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Partially Open HIV-1 Envelope Structures Exhibit Conformational Changes Relevant for Coreceptor Binding and Fusion.
Cell Host Microbe, 24, 2018
6D6U
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BU of 6d6u by Molmil
Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Zhu, S, Noviello, C.M, Teng, J, Walsh Jr, R.M, Kim, J.J, Hibbs, R.E.
Deposit date:2018-04-22
Release date:2018-06-27
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structure of a human synaptic GABAAreceptor.
Nature, 559, 2018
7EOW
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BU of 7eow by Molmil
High-resolution structure of vWF A1 domain in complex with caplacizumab, the first nanobody-based medicine
Descriptor: caplacizumab, von Willebrand factor
Authors:Lee, H.T, Heo, Y.-S.
Deposit date:2021-04-23
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution structure of the vWF A1 domain in complex with caplacizumab, the first nanobody-based medicine for treating acquired TTP.
Biochem.Biophys.Res.Commun., 567, 2021
6CBE
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BU of 6cbe by Molmil
Atomic structure of a rationally engineered gene delivery vector, AAV2.5
Descriptor: Capsid protein VP1
Authors:Burg, M, Rosebrough, C, Drouin, L, Bennett, A, Mietzsch, M, Chipman, P, McKenna, R, Sousa, D, Potter, M, Byrne, B, Kozyreva, O.G, Samulski, R.J, Agbandje-McKenna, M.
Deposit date:2018-02-02
Release date:2018-05-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Atomic structure of a rationally engineered gene delivery vector, AAV2.5.
J. Struct. Biol., 203, 2018
6ARP
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BU of 6arp by Molmil
Structure of a mutant Cetuximab Fab fragment
Descriptor: Cetuximab mutant Fab heavy chain,Immunoglobulin gamma-1 heavy chain, Cetuximab mutant light chain,Uncharacterized protein, GLYCEROL, ...
Authors:Christie, M, Christ, D.
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a mutant Cetuximab Fab fragment
To Be Published
7CN2
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BU of 7cn2 by Molmil
Subparticle refinement of human papillomavirus type 16 pesudovirus in complex with H16.001 Fab
Descriptor: Major capsid protein L1, The heavy chain variable region of H16.001 Fab fragment, The light chain variable region of H16.001 Fab fragment
Authors:He, M.Z, Li, S.W.
Deposit date:2020-07-29
Release date:2020-09-02
Last modified:2021-03-17
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structural characterization of a neutralizing mAb H16.001, a potent candidate for a common potency assay for various HPV16 VLPs.
Npj Vaccines, 5, 2020
6ATF
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BU of 6atf by Molmil
HLA-DRB1*1402 in complex with Vimentin59-71
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scally, S.W, Ting, Y.T, Rossjohn, J.
Deposit date:2017-08-29
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
6D6T
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BU of 6d6t by Molmil
Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Zhu, S, Noviello, C.M, Teng, J, Walsh Jr, R.M, Kim, J.J, Hibbs, R.E.
Deposit date:2018-04-22
Release date:2018-06-27
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Structure of a human synaptic GABAAreceptor.
Nature, 559, 2018
6DGK
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BU of 6dgk by Molmil
Crystal Structure of the Non-Structural Protein 1 (NS1) effector domain W187A mutant from the A/Brevig Mission/1/1918 (H1N1) strain of Influenza A Virus
Descriptor: Non-structural protein 1
Authors:Kleinpeter, A.B, Green, T.J, Petit, C.M.
Deposit date:2018-05-17
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analyses reveal the mechanism of inhibition of influenza virus NS1 by two antiviral compounds.
J. Biol. Chem., 293, 2018
7EDJ
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BU of 7edj by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2 (ACE2) ectodomain, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
7EDI
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BU of 7edi by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), two RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021

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