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4WWN
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BU of 4wwn by Molmil
Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor
Descriptor: N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
6AGI
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BU of 6agi by Molmil
Crystal Structure of EFHA2 in Ca-binding State
Descriptor: CALCIUM ION, Calcium uptake protein 3, mitochondrial, ...
Authors:Yangfei, X, Xue, Y, Yuequan, S.
Deposit date:2018-08-11
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter.
Cell Rep, 26, 2019
6AIC
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BU of 6aic by Molmil
Crystal structures of the N-terminal domain of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, DEAD-box ATP-dependent RNA helicase CshA
Authors:Tian, T, Chengliang, W, Xiaobao, C, Xuan, Z, Jianye, Z.
Deposit date:2018-08-22
Release date:2018-11-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
6LRU
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BU of 6lru by Molmil
Marsupenaeus japonicus ferritin mutant (T158H)
Descriptor: FE (III) ION, Ferritin, IMIDAZOLE, ...
Authors:Zhao, G, Tan, X, Zhang, T.
Deposit date:2020-01-16
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Converting histidine-induced 3D protein arrays in crystals into their 3D analogues in solution by metal coordination cross-linking.
Commun Chem, 2020
5YQX
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BU of 5yqx by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Xue, X, Zhang, Y, Wang, C, Song, M.
Deposit date:2017-11-08
Release date:2018-11-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer.
Eur.J.Med.Chem., 152, 2018
6LRV
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BU of 6lrv by Molmil
Marsupenaeus japonicus ferritin mutant(T158H) pH9.0
Descriptor: Ferritin
Authors:Zhao, G, Tan, X, Zhang, T.
Deposit date:2020-01-16
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Converting histidine-induced 3D protein arrays in crystals into their 3D analogues in solution by metal coordination cross-linking.
Commun Chem, 2020
8HBT
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BU of 8hbt by Molmil
AmAT7-3 mutant A310G
Descriptor: AmAT7-3-A310G, Astragaloside IV
Authors:Wang, L.L.
Deposit date:2022-10-31
Release date:2023-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus.
Nat Commun, 14, 2023
8HNB
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BU of 8hnb by Molmil
Cryo-EM structure of human OATP1B1 in apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1
Authors:Shan, Z, Yang, X, Zhang, Y.
Deposit date:2022-12-07
Release date:2023-09-13
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8H8I
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BU of 8h8i by Molmil
Triterpenoid saponin acetyltransferase, AmAT7-3
Descriptor: AmAT7-3, Astragaloside IV
Authors:Wang, L.L.
Deposit date:2022-10-22
Release date:2023-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus.
Nat Commun, 14, 2023
8HNH
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BU of 8hnh by Molmil
Cryo-EM structure of human OATP1B1 in complex with simeprevir
Descriptor: (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shan, Z, Yang, X, Zhang, Y.
Deposit date:2022-12-07
Release date:2023-09-13
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
6YS3
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BU of 6ys3 by Molmil
Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Schulte, L, Reitz, J, Kudlinzki, D, Hodirnau, V.V, Frangakis, A, Schwalbe, H.
Deposit date:2020-04-20
Release date:2020-09-30
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide
Nat Commun, 2020
4WWO
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BU of 4wwo by Molmil
Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine
Descriptor: N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
6OTS
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BU of 6ots by Molmil
Rat ERK2 E320K
Descriptor: Mitogen-activated protein kinase 1
Authors:Taylor, C.A, Cormier, K.W, Juang, Y.-C, Goldsmith, E.J, Cobb, M.H.
Deposit date:2019-05-03
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
8FEZ
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BU of 8fez by Molmil
Prefusion-stabilized SARS-CoV-2 spike protein
Descriptor: Spike glycoprotein
Authors:Gonzalez, K.J, Mousa, J.J, Strauch, E.M.
Deposit date:2022-12-07
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:A general computational design strategy for stabilizing viral class I fusion proteins.
Biorxiv, 2023
8PHI
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BU of 8phi by Molmil
Crystal structure of prefusion-stabilized RSV F Variant DS-Cav1 in complex with Lonafarnib
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, CALCIUM ION, ...
Authors:Rajak, M, Krey, T.
Deposit date:2023-06-19
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Drug repurposing screen identifies lonafarnib as respiratory syncytial virus fusion protein inhibitor.
Nat Commun, 15, 2024
7YMD
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BU of 7ymd by Molmil
Cryo-EM structure of Nse1/3/4
Descriptor: Non-structural maintenance of chromosome element 3, Non-structural maintenance of chromosome element 4, Non-structural maintenance of chromosomes element 1
Authors:Qian, L, Jun, Z, Zhenguo, C, Wang, L.
Deposit date:2022-07-28
Release date:2024-01-31
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.176 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
5Y9P
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BU of 5y9p by Molmil
Staphylococcus aureus RNase HII
Descriptor: GLYCEROL, Ribonuclease HII
Authors:Hang, T, Wu, M, Zhang, X.
Deposit date:2017-08-26
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into a novel functional dimer of Staphylococcus aureus RNase HII
Biochem. Biophys. Res. Commun., 503, 2018
7V0E
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BU of 7v0e by Molmil
Crystal structure of the macro-oligomeric form of DNMT3B methyltransferase domain.
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Gao, L, Lu, J, Song, J.
Deposit date:2022-05-10
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.27016377 Å)
Cite:Structure of DNMT3B homo-oligomer reveals vulnerability to impairment by ICF mutations.
Nat Commun, 13, 2022
8HPB
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BU of 8hpb by Molmil
NMR Structure of OsCIE1-Ubox S237D mutant
Descriptor: U-box domain-containing protein 12
Authors:Zhang, Y, Yu, C.Z, Lan, W.X.
Deposit date:2022-12-12
Release date:2023-12-20
Last modified:2024-06-12
Method:SOLUTION NMR
Cite:Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
7WA9
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BU of 7wa9 by Molmil
Crystal structure of MSMEG_5634 from Mycobacterium smegmatis
Descriptor: MSMEG_5634
Authors:Wang, Z, Zhang, W.
Deposit date:2021-12-12
Release date:2022-10-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Novel Acyl-AcpM-Binding Protein Confers Intrinsic Sensitivity to Fatty Acid Synthase Type II Inhibitors in Mycobacterium smegmatis
Front Microbiol, 13, 2022
8HQB
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BU of 8hqb by Molmil
NMR Structure of OsCIE1-Ubox
Descriptor: U-box domain-containing protein 12
Authors:Zhang, Y, Yu, C.Z, Lan, W.X.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2024-06-12
Method:SOLUTION NMR
Cite:Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
4LK2
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BU of 4lk2 by Molmil
Crystal structure of RNA splicing effector Prp5
Descriptor: NICKEL (II) ION, Pre-mRNA-processing ATP-dependent RNA helicase PRP5
Authors:Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J.
Deposit date:2013-07-05
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly.
Cell Rep, 5, 2013
8HMH
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BU of 8hmh by Molmil
The closed state of RGLG2-VWA
Descriptor: E3 ubiquitin-protein ligase RGLG2, MAGNESIUM ION
Authors:Wang, Q.
Deposit date:2022-12-03
Release date:2023-12-27
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:The regulation of RGLG2-VWA by Ca 2+ ions.
Biochim Biophys Acta Proteins Proteom, 1872, 2024
6M6I
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BU of 6m6i by Molmil
Structure of HSV2 B-capsid portal vertex
Descriptor: Coiled coils chain 1, Coiled coils chain 2, Major capsid protein, ...
Authors:Wang, X.X, Wang, N.
Deposit date:2020-03-14
Release date:2021-03-10
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
6M6H
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BU of 6m6h by Molmil
Structure of HSV2 C-capsid portal vertex
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
Authors:Wang, X.X, Wang, N.
Deposit date:2020-03-14
Release date:2021-03-24
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020

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PDB entries from 2024-07-10

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