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8BIK
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BU of 8bik by Molmil
Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455
Descriptor: (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ...
Authors:Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M.
Deposit date:2022-11-02
Release date:2024-05-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis
Biorxiv, 2024
1BUY
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BU of 1buy by Molmil
HUMAN ERYTHROPOIETIN, NMR MINIMIZED AVERAGE STRUCTURE
Descriptor: PROTEIN (ERYTHROPOIETIN)
Authors:Cheetham, J.C, Smith, D.M, Aoki, K.H, Stevenson, J.L, Hoeffel, T.J, Syed, R.S, Egrie, J, Harvey, T.S.
Deposit date:1998-09-08
Release date:1999-09-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of human erythropoietin and a comparison with its receptor bound conformation.
Nat.Struct.Biol., 5, 1998
3C91
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BU of 3c91 by Molmil
Thermoplasma acidophilum 20S proteasome with an open gate
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Rabl, J, Smith, D.M, Yu, Y, Chang, S.C, Goldberg, A.L, Cheng, Y.
Deposit date:2008-02-14
Release date:2008-08-05
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Mechanism of gate opening in the 20S proteasome by the proteasomal ATPases.
Mol.Cell, 30, 2008
3C92
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BU of 3c92 by Molmil
Thermoplasma acidophilum 20S proteasome with a closed gate
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Rabl, J, Smith, D.M, Yu, Y, Chang, S.C, Goldberg, A.L, Cheng, Y.
Deposit date:2008-02-14
Release date:2008-08-05
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Mechanism of gate opening in the 20S proteasome by the proteasomal ATPases.
Mol.Cell, 30, 2008
8OW2
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BU of 8ow2 by Molmil
Crystal structure of the p110alpha catalytic subunit from homo sapiens in complex with activator 1938
Descriptor: 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L.
Deposit date:2023-04-26
Release date:2023-05-24
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
8BFU
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BU of 8bfu by Molmil
Crystal structure of the apo p110alpha catalytic subunit from homo sapiens
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L.
Deposit date:2022-10-26
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
7PG5
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BU of 7pg5 by Molmil
Crystal Structure of PI3Kalpha
Descriptor: GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.20029068 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
7PG6
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BU of 7pg6 by Molmil
Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.49943733 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
8F7K
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BU of 8f7k by Molmil
Thermoplasma acidophilum 20S proteasome - wild type bound to ZYA
Descriptor: N-[(benzyloxy)carbonyl]-L-tyrosyl-D-alanine, Proteasome subunit alpha, Proteasome subunit beta
Authors:Chuah, J, Smith, D.
Deposit date:2022-11-18
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (1.94 Å)
Cite:High resolution structures define divergent and convergent mechanisms of archaeal proteasome activation.
Commun Biol, 6, 2023
8F6A
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BU of 8f6a by Molmil
Thermoplasma acidophilum 20S proteasome - wild type
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Chuah, J, Smith, D.
Deposit date:2022-11-16
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (2.06 Å)
Cite:High resolution structures define divergent and convergent mechanisms of archaeal proteasome activation.
Commun Biol, 6, 2023
8F66
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BU of 8f66 by Molmil
Thermoplasma acidophilum 20S proteasome - L81Y mutation in alpha subunit
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Chuah, J, Smith, D.
Deposit date:2022-11-16
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (2.28 Å)
Cite:High resolution structures define divergent and convergent mechanisms of archaeal proteasome activation.
Commun Biol, 6, 2023
7M0K
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BU of 7m0k by Molmil
HPK1 IN COMPLEX WITH COMPOUND 1
Descriptor: 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Lesburg, C.A.
Deposit date:2021-03-11
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
7M0M
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BU of 7m0m by Molmil
HPK1 IN COMPLEX WITH COMPOUND 1
Descriptor: 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Lesburg, C.A.
Deposit date:2021-03-11
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
7M0L
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BU of 7m0l by Molmil
HPK1 IN COMPLEX WITH COMPOUND 1
Descriptor: 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Lesburg, C.A.
Deposit date:2021-03-11
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
8GBX
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BU of 8gbx by Molmil
Crystal structure of PC39-50I, an anti-HIV broadly neutralizing antibody
Descriptor: PC39-50I Fab heavy chain, PC39-50I Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GC0
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BU of 8gc0 by Molmil
Crystal structure of PC39-50L, an anti-HIV broadly neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PC39-50L Fab heavy chain, PC39-50L Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GBY
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BU of 8gby by Molmil
Crystal structure of PC39-50E, an anti-HIV broadly neutralizing antibody
Descriptor: GLYCEROL, PC39-50E Fab heavy chain, PC39-50E Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GBW
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BU of 8gbw by Molmil
Crystal structure of PC39-23D, an anti-HIV broadly neutralizing antibody
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PC39-23D Fab heavy chain, ...
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GBV
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BU of 8gbv by Molmil
Crystal structure of PC39-17A, an anti-HIV broadly neutralizing antibody
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, PC39-17A Fab heavy chain, ...
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GC1
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BU of 8gc1 by Molmil
Crystal structure of the unmutated common ancestor (UCA) of the PC39-1 anti-HIV broadly neutralizing antibody lineage
Descriptor: PC39-1 UCA Fab heavy chain, PC39-1 UCA Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GBZ
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BU of 8gbz by Molmil
Crystal structure of PC39-55C, an anti-HIV broadly neutralizing antibody
Descriptor: DI(HYDROXYETHYL)ETHER, PC39-55C Fab heavy chain, PC39-55C Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GKF
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BU of 8gkf by Molmil
Phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis in complex with Raltitrexed.
Descriptor: 4'-phosphopantetheinyl transferase PptT, TOMUDEX
Authors:Krieger, I.V, Singh, A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2023-03-18
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Redirecting raltitrexed from cancer cell thymidylate synthase to Mycobacterium tuberculosis phosphopantetheinyl transferase.
Sci Adv, 10, 2024
8DGX
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BU of 8dgx by Molmil
Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC68.109 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC68.109 Fab heavy chain, Antibody CC68.109 Fab light chain, Spike protein S2'
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DGU
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BU of 8dgu by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC25.106 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC25.106 Fab heavy chain, Antibody CC25.106 Fab light chain, GLYCEROL, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DGV
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BU of 8dgv by Molmil
Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC99.103 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC99.103 Fab heavy chain, Antibody CC99.103 Fab light chain, Spike protein S2'
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023

 

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