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8YGE
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BU of 8yge by Molmil
pP1192R-DNA-m-AMSA complex DNA binding/cleavage domain
Descriptor: DNA (12-mer), DNA (20-mer), DNA (8-mer), ...
Authors:Sun, J.Q, Liu, R.L.
Deposit date:2024-02-26
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R.
Nucleic Acids Res., 2024
6Y6H
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BU of 6y6h by Molmil
Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe
Descriptor: 1,2-ETHANEDIOL, 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B
Authors:Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-26
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
6Y6F
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BU of 6y6f by Molmil
Crystal structure of STK17B (DRAK2) in complex with PKIS43
Descriptor: 1,2-ETHANEDIOL, 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B
Authors:Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-26
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
6ZJF
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BU of 6zjf by Molmil
Crystal structure of STK17B (DRAK2) in complex with AP-229
Descriptor: 1,2-ETHANEDIOL, 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B
Authors:Chaikuad, A, Picado, A, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-06-28
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
5XHS
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BU of 5xhs by Molmil
Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA
Descriptor: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Yu, Y, Li, B, Chen, Q.
Deposit date:2017-04-24
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
6Q9M
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BU of 6q9m by Molmil
Central Fibronectin-III array of RIM-binding protein
Descriptor: PHOSPHATE ION, RIM-binding protein, isoform F
Authors:Driller, J.D, Habibi, S, Wahl, M.C, Loll, B.
Deposit date:2018-12-18
Release date:2020-01-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:RIM-binding protein couples synaptic vesicle recruitment to release sites.
J.Cell Biol., 219, 2020
6X3N
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BU of 6x3n by Molmil
Co-structure of BTK kinase domain with L-005085737 inhibitor
Descriptor: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
Authors:Fischmann, T.O.
Deposit date:2020-05-21
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6X3O
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BU of 6x3o by Molmil
Co-structure of BTK kinase domain with L-005191930 inhibitor
Descriptor: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
Authors:Fischmann, T.O.
Deposit date:2020-05-21
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6X3P
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BU of 6x3p by Molmil
Co-structure of BTK kinase domain with L-005298385 inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ...
Authors:Fischmann, T.O.
Deposit date:2020-05-21
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6MNL
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BU of 6mnl by Molmil
NMR solution structures of second bromodomain of BRD4 with FOXO3a peptide
Descriptor: Bromodomain-containing protein 4, FOXO3a peptide
Authors:Zeng, L, Zhou, M.-M.
Deposit date:2018-10-02
Release date:2018-10-31
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Targeting the BRD4/FOXO3a/CDK6 axis sensitizes AKT inhibition in luminal breast cancer.
Nat Commun, 9, 2018
7YOJ
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BU of 7yoj by Molmil
Structure of CasPi with guide RNA and target DNA
Descriptor: CasPi, DNA (30-MER), DNA (5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*CP*CP*AP*G)-3'), ...
Authors:Li, C.P, Wang, J, Liu, J.J.
Deposit date:2022-08-01
Release date:2023-02-15
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:The compact Cas pi (Cas12l) 'bracelet' provides a unique structural platform for DNA manipulation.
Cell Res., 33, 2023
6IW2
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BU of 6iw2 by Molmil
Crystal structure of 5A ScFv in complex with YFV-17D sE in prefusion state
Descriptor: Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IVZ
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BU of 6ivz by Molmil
Crystal structure of 5A ScFv complexed with YFV-China sE in postfusion state
Descriptor: Envelope protein, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW5
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BU of 6iw5 by Molmil
Crystal structure of YFV-China sE in prefusion state
Descriptor: Envelope protein
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW0
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BU of 6iw0 by Molmil
Crystal structure of 5A ScFv in complex with YFV-17D sE in postfusion state
Descriptor: Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW1
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BU of 6iw1 by Molmil
Crystal structure of YFV-17D sE in postfusion state
Descriptor: Envelope protein E
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6F57
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BU of 6f57 by Molmil
Crystal structure of DNMT3A-DNMT3L in complex with single CpG-containing DNA
Descriptor: DNA (5'-D(*AP*GP*AP*GP*CP*GP*CP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*GP*ZP*GP*CP*TP*CP*T)-3'), DNA (cytosine-5)-methyltransferase 3-like, ...
Authors:Zhang, Z.M, Song, J.
Deposit date:2017-12-01
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
7SL6
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BU of 7sl6 by Molmil
Full-length insulin receptor bound with site 2 binding deficient mutant insulin (B-L17R) -- symmetric conformation
Descriptor: Insulin A chain, Insulin B chain, Insulin receptor
Authors:Bai, X.C, Choi, E.
Deposit date:2021-10-22
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
7SL7
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BU of 7sl7 by Molmil
Full-length insulin receptor bound with both site 1 binding deficient mutant insulin (A-V3E) and site 2 binding deficient mutant insulin (A-L13R)
Descriptor: Insulin A chain (L13R), Insulin A chain (V3E), Insulin B chain, ...
Authors:Bai, X.C, Choi, E.
Deposit date:2021-10-22
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
7SL2
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BU of 7sl2 by Molmil
Full-length insulin receptor bound with site 2 binding deficient mutant insulin (A-L13R) -- asymmetric conformation
Descriptor: Insulin A chain, Insulin B chain, Insulin receptor
Authors:Bai, X.C, Choi, E.
Deposit date:2021-10-22
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
7SL3
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BU of 7sl3 by Molmil
Full-length insulin receptor bound with site 2 binding deficient mutant insulin (A-L13R) -- symmetric conformation
Descriptor: Insulin A chain, Insulin B chain, Insulin receptor
Authors:Bai, X.C, Choi, E.
Deposit date:2021-10-22
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
7SL4
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BU of 7sl4 by Molmil
Full-length insulin receptor bound with site 2 binding deficient mutant insulin (B-L17R) -- asymmetric conformation
Descriptor: Insulin A chain, Insulin B chain, Insulin receptor
Authors:Bai, X.C, Choi, E.
Deposit date:2021-10-22
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
7SL1
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BU of 7sl1 by Molmil
Full-length insulin receptor bound with site 1 binding deficient mutant insulin (A-V3E)
Descriptor: Insulin A chain, Insulin B chain, Insulin receptor
Authors:Bai, X.C, Choi, E.
Deposit date:2021-10-22
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
8EX1
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BU of 8ex1 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine
Descriptor: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX0
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BU of 8ex0 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with CDK2-IV
Descriptor: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023

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PDB entries from 2024-09-18

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