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7P40
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BU of 7p40 by Molmil
P5C3 is a potent fab neutralizer
Descriptor: Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL)
Authors:perez, L.
Deposit date:2021-07-09
Release date:2021-10-13
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A highly potent antibody effective against SARS-CoV-2 variants of concern.
Cell Rep, 37, 2021
7PHG
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BU of 7phg by Molmil
MaP OF P5C3RBD Interface
Descriptor: Heavy ChaIn variable, Light ChaIn, Surface glycoprotein
Authors:Perez, L.
Deposit date:2021-08-17
Release date:2021-10-13
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:A highly potent antibody effective against SARS-CoV-2 variants of concern.
Cell Rep, 37, 2021
7T4R
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BU of 7t4r by Molmil
CryoEM structure of the HCMV Pentamer gH/gL/UL128/UL130/UL131A in complex with THBD and neutralizing fabs MSL-109 and 13H11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
Authors:Kschonsak, M, Johnson, M.C, Schelling, R, Green, E.M, Rouge, L, Ho, H, Patel, N, Kilic, C, Kraft, E, Arthur, C.P, Rohou, A.L, Comps-Agrar, L, Martinez-Martin, N, Perez, L, Payandeh, J, Ciferri, C.
Deposit date:2021-12-10
Release date:2022-03-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for HCMV Pentamer receptor recognition and antibody neutralization.
Sci Adv, 8, 2022
7T4Q
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BU of 7t4q by Molmil
CryoEM structure of the HCMV Pentamer gH/gL/UL128/UL130/UL131A in complex with neutralizing fabs 2C12, 7I13 and 13H11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
Authors:Kschonsak, M, Johnson, M.C, Schelling, R, Green, E.M, Rouge, L, Ho, H, Patel, N, Kilic, C, Kraft, E, Arthur, C.P, Rohou, A.L, Comps-Agrar, L, Martinez-Martin, N, Perez, L, Payandeh, J, Ciferri, C.
Deposit date:2021-12-10
Release date:2022-03-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for HCMV Pentamer receptor recognition and antibody neutralization.
Sci Adv, 8, 2022
7T4S
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BU of 7t4s by Molmil
CryoEM structure of the HCMV Pentamer gH/gL/UL128/UL130/UL131A in complex with NRP2 and neutralizing fabs 8I21 and 13H11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein H, ...
Authors:Kschonsak, M, Johnson, M.C, Schelling, R, Green, E.M, Rouge, L, Ho, H, Patel, N, Kilic, C, Kraft, E, Arthur, C.P, Rohou, A.L, Comps-Agrar, L, Martinez-Martin, N, Perez, L, Payandeh, J, Ciferri, C.
Deposit date:2021-12-10
Release date:2022-03-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for HCMV Pentamer receptor recognition and antibody neutralization.
Sci Adv, 8, 2022
7QTK
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BU of 7qtk by Molmil
SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD down - 1-P2G3 Fab (Local)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2G3 Heavy Chain, P2G3 Light Chain, ...
Authors:Ni, D, Lau, K, Turelli, P, Fenwick, C, Perez, L, Pojer, F, Stahlberg, H, Pantaleo, G, Trono, D.
Deposit date:2022-01-14
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Patient-derived monoclonal antibody neutralizes SARS-CoV-2 Omicron variants and confers full protection in monkeys.
Nat Microbiol, 7, 2022
7QTJ
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BU of 7qtj by Molmil
SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD up - 1-P2G3 and 1-P5C3 Fabs (Local)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2G3 Heavy Chain, P2G3 Light Chain, ...
Authors:Ni, D, Lau, K, Turelli, P, Fenwick, C, Perez, L, Pojer, F, Stahlberg, H, Pantaleo, G, Trono, D.
Deposit date:2022-01-14
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (4.01 Å)
Cite:Patient-derived monoclonal antibody neutralizes SARS-CoV-2 Omicron variants and confers full protection in monkeys.
Nat Microbiol, 7, 2022
7QTI
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BU of 7qti by Molmil
SARS-CoV-2 S Omicron Spike B.1.1.529 - 3-P2G3 and 1-P5C3 Fabs (Global)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2G3 Heavy Chain, ...
Authors:Ni, D, Lau, K, Turelli, P, Fenwick, C, Perez, L, Pojer, F, Stahlberg, H, Pantaleo, G, Trono, D.
Deposit date:2022-01-14
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Patient-derived monoclonal antibody neutralizes SARS-CoV-2 Omicron variants and confers full protection in monkeys.
Nat Microbiol, 7, 2022
7NYO
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BU of 7nyo by Molmil
Mutant A541L of SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: 1,2-ETHANEDIOL, SH3 domain of JNK-interacting Protein 1 (JIP1), SULFATE ION, ...
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NZB
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BU of 7nzb by Molmil
Mutant V517L of the SH3 domain of JNK-interacting protein 1 (JIP1)
Descriptor: PHOSPHATE ION, SH3 domain of JNK-interacting protein 1 (JIP1), TETRAETHYLENE GLYCOL
Authors:Perez, L.M, Ielasi, F.S, Jensen, M.R, Palencia, A.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.959 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYK
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BU of 7nyk by Molmil
SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: SH3 domain of JNK-interacting Protein 1 (JIP1)
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-22
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYM
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BU of 7nym by Molmil
Mutant V517A - SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: HEXAETHYLENE GLYCOL, PHOSPHATE ION, SH3 domain of JNK-interacting Protein 1 (JIP1), ...
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.614 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYN
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BU of 7nyn by Molmil
Mutant Y526A of SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.537 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYL
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BU of 7nyl by Molmil
Mutant H493A of SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: SH3 domain of JNK-interacting Protein 1 (JIP1), TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NZD
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BU of 7nzd by Molmil
Fourth SH3 domain of POSH (Plenty of SH3 Domains protein)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase SH3RF1
Authors:Palencia, A, Bessa, L.M, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NZC
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BU of 7nzc by Molmil
First SH3 domain of POSH (Plenty of SH3 Domains protein)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase SH3RF1
Authors:Palencia, A, Bessa, L.M, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.111 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
6BQB
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BU of 6bqb by Molmil
MGG4 Fab in complex with peptide
Descriptor: GLYCEROL, MGG4 Fab heavy chain, MGG4 Fab light chain, ...
Authors:Oyen, D, Tan, J, Lanzavecchia, A, Wilson, I.A.
Deposit date:2017-11-27
Release date:2018-03-07
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:A public antibody lineage that potently inhibits malaria infection through dual binding to the circumsporozoite protein.
Nat. Med., 24, 2018
4IEH
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BU of 4ieh by Molmil
Crystal Structure of human Bcl-2 in complex with a small molecule inhibitor targeting Bcl-2 BH3 domain interactions
Descriptor: Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, N-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide
Authors:Xie, X, Kulathila, R.
Deposit date:2012-12-13
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions.
ACS Med Chem Lett, 4, 2013
8PQ2
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BU of 8pq2 by Molmil
XBB 1.0 RBD bound to P4J15 (Local)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, P4J15 Fragment Antigen-Binding Heavy Chain, P4J15 Fragment Antigen-Binding Light Chain, ...
Authors:Duhoo, Y, Lau, K.
Deposit date:2023-07-10
Release date:2023-11-01
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Broadly potent anti-SARS-CoV-2 antibody shares 93% of epitope with ACE2 and provides full protection in monkeys.
J Infect, 87, 2023
8PSD
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BU of 8psd by Molmil
SARS-CoV-2 XBB 1.0 closed conformation.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Duhoo, Y, Lau, K.
Deposit date:2023-07-13
Release date:2023-11-01
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Broadly potent anti-SARS-CoV-2 antibody shares 93% of epitope with ACE2 and provides full protection in monkeys.
J Infect, 87, 2023
6ZXN
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BU of 6zxn by Molmil
Cryo-EM structure of the SARS-CoV-2 spike protein bound to neutralizing nanobodies (Ty1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Ty1, ...
Authors:Hallberg, B.M, Das, H.
Deposit date:2020-07-30
Release date:2020-09-23
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:An alpaca nanobody neutralizes SARS-CoV-2 by blocking receptor interaction.
Nat Commun, 11, 2020
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
5EHP
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BU of 5ehp by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836
Descriptor: 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.
J.Med.Chem., 59, 2016
8U2E
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BU of 8u2e by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8U2D
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BU of 8u2d by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024

 

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