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PDB: 53012 results

8ELS
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BU of 8els by Molmil
HRAS R97A Crystal Form 1 R-state
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Davis, D, Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.267 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
2WAH
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BU of 2wah by Molmil
Crystal Structure of an IgG1 Fc Glycoform (Man9GlcNAc2)
Descriptor: IG GAMMA-1 CHAIN C REGION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Crispin, M, Bowden, T.A, Coles, C.H, Harlos, K, Aricescu, A.R, Harvey, D.J, Stuart, D.I, Jones, E.Y.
Deposit date:2009-02-06
Release date:2009-03-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Carbohydrate and Domain Architecture of an Immature Antibody Glycoform Exhibiting Enhanced Effector Functions
J.Mol.Biol., 387, 2009
5G3L
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BU of 5g3l by Molmil
ESCHERICHIA COLI HEAT LABILE ENTEROTOXIN TYPE IIB B-PENTAMER COMPLEXED WITH SIALYLATED SUGAR
Descriptor: HEAT-LABILE ENTEROTOXIN IIB, B CHAIN, N-acetyl-alpha-neuraminic acid, ...
Authors:Zalem, D, Benktander, J, Ribeiro, J.P, Varrot, A, Lebens, M, Imberty, A, Teneberg, S.
Deposit date:2016-04-29
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Biochemical and Structural Characterization of the Novel Sialic Acid-Binding Site of Escherichia Coli Heat-Labile Enterotoxin Lt-Iib.
Biochem.J., 473, 2016
8ITL
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BU of 8itl by Molmil
Cryo-EM structure of GIPR splice variant 1 (SV1) in complex with Gs protein
Descriptor: Gastric inhibitory polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, F.H, Hang, K.N, Zhou, Q.T, Shao, L.J, Li, H, Li, W.Z, Lin, S, Dai, A.T, Cai, X.Q, Liu, Y.Y, Xu, Y.N, Feng, W.B, Yang, D.H, Wang, M.W.
Deposit date:2023-03-22
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Molecular basis of signal transduction mediated by the human GIPR splice variants.
Proc.Natl.Acad.Sci.USA, 120, 2023
6O2L
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BU of 6o2l by Molmil
NMR structure of the 2:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex
Descriptor: 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3')
Authors:Lin, C, Liu, W, Yang, D.
Deposit date:2019-02-24
Release date:2019-10-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structures of 1:1 and 2:1 complexes of BMVC and MYC promoter G-quadruplex reveal a mechanism of ligand conformation adjustment for G4-recognition.
Nucleic Acids Res., 47, 2019
6Q7D
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BU of 6q7d by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13
Descriptor: 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-12-13
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.978 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6YXR
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BU of 6yxr by Molmil
Dunaliella Minimal Photosystem I
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
Authors:Nelson, N, Caspy, I, Malavath, T, Klaiman, D, Shkolinsky, Y.
Deposit date:2020-05-03
Release date:2020-07-01
Last modified:2020-07-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and energy transfer pathways of the Dunaliella Salina photosystem I supercomplex.
Biochim Biophys Acta Bioenerg, 1861, 2020
5W8K
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BU of 5w8k by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
Authors:Lukacs, C.M, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
6CVL
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BU of 6cvl by Molmil
Crystal structure of the Escherichia coli ATPgS-bound MetNI methionine ABC transporter in complex with its MetQ binding protein
Descriptor: IODIDE ION, MERCURY (II) ION, MetI transmembrane subunit, ...
Authors:Nguyen, P.T, Kaiser, J.T, Rees, D.C.
Deposit date:2018-03-28
Release date:2018-11-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.953 Å)
Cite:Noncanonical role for the binding protein in substrate uptake by the MetNI methionine ATP Binding Cassette (ABC) transporter.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6FMQ
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BU of 6fmq by Molmil
Keap1 - peptide complex
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ACY-SC1-GLU-THR-GLY-GLU-LEU, ...
Authors:Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D.
Deposit date:2018-02-02
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Modified Peptide Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction Incorporating Unnatural Amino Acids.
Chembiochem, 19, 2018
6NMI
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BU of 6nmi by Molmil
Cryo-EM structure of the human TFIIH core complex
Descriptor: CDK-activating kinase assembly factor MAT1, General transcription and DNA repair factor IIH helicase subunit XPB, General transcription and DNA repair factor IIH helicase subunit XPD, ...
Authors:Greber, B.J, Toso, D, Fang, J, Nogales, E.
Deposit date:2019-01-10
Release date:2019-03-13
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The complete structure of the human TFIIH core complex.
Elife, 8, 2019
6ZKA
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BU of 6zka by Molmil
Membrane domain of open complex I during turnover
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, ...
Authors:Kampjut, D, Sazanov, L.A.
Deposit date:2020-06-30
Release date:2020-10-07
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6VZO
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BU of 6vzo by Molmil
Crystal structure of human PPARgamma ligand binding domain (Protein delipidated by denature and refold)
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
5JDG
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BU of 5jdg by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Ca2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-16
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
6VZM
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BU of 6vzm by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with Darglitazone
Descriptor: (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6YKI
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BU of 6yki by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_092
Descriptor: SULFATE ION, YTHDC1, ~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-06
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6VZN
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BU of 6vzn by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
7ZI4
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BU of 7zi4 by Molmil
Cryo-EM structure of the human INO80 complex bound to a WT nucleosome
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Vance, N.R, Ayala, R, Willhoft, O, Tvardovskiy, A, McCormack, E.A, Bartke, T, Zhang, X, Wigley, D.B.
Deposit date:2022-04-07
Release date:2023-04-19
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the human INO80 complex bound to a WT nucleosome
To Be Published
6W2G
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BU of 6w2g by Molmil
Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A in Monoclinic Unit Cell
Descriptor: 1,2-ETHANEDIOL, UV excision repair protein RAD23 homolog A
Authors:Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C.
Deposit date:2020-03-05
Release date:2021-03-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
6VZL
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BU of 6vzl by Molmil
Crystal structure of human PPARgamma ligand binding domain in complex with GW1929
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
7ICD
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BU of 7icd by Molmil
REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M.
Deposit date:1990-05-30
Release date:1991-10-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
6NRL
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BU of 6nrl by Molmil
X-ray structure of H6N6-NS1 delta(80-84) R38A K41A E71G mutant
Descriptor: Non-structural protein 1
Authors:Mitra, S, Kumar, D, Hu, L, Prasad, B.V.V.
Deposit date:2019-01-23
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Influenza A Virus Protein NS1 Exhibits Strain-Independent Conformational Plasticity.
J.Virol., 93, 2019
6W81
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BU of 6w81 by Molmil
Structure of PEDV main protease bound to potent broad-spectrum non-covalent inhibitor X77
Descriptor: MALONIC ACID, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide, Peptidase C30
Authors:Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-20
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
7ZK6
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BU of 7zk6 by Molmil
ABCB1 L335C mutant (mABCB1) in the outward facing state bound to 2 molecules of AAC
Descriptor: (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Parey, K, Januliene, D, Gewering, T, Moeller, A.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
6Y2X
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BU of 6y2x by Molmil
RING-DTC domains of Deltex 2, Form 2
Descriptor: Probable E3 ubiquitin-protein ligase DTX2, ZINC ION
Authors:Gabrielsen, M, Buetow, L, Huang, D.T.
Deposit date:2020-02-17
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020

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