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8H3I
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BU of 8h3i by Molmil
Crystal Structure of the apo-form Pathogenesis-related Protein HcPR10 from Halostachys caspica
Descriptor: PR10
Authors:Wang, Z, Ren, Y.
Deposit date:2022-10-08
Release date:2023-05-17
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Halostachys caspica pathogenesis-related protein 10 acts as a cytokinin reservoir to regulate plant growth and development.
Front Plant Sci, 14, 2023
8H3J
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BU of 8h3j by Molmil
Crystal Structure of Pathogenesis-related Protein HcPR10 from Halostachys caspica in complex with trans-Zeatin-riboside
Descriptor: N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, PR10
Authors:Wang, Z, Ren, Y.
Deposit date:2022-10-08
Release date:2023-05-17
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Halostachys caspica pathogenesis-related protein 10 acts as a cytokinin reservoir to regulate plant growth and development.
Front Plant Sci, 14, 2023
7S1N
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BU of 7s1n by Molmil
N-Aromatic-Substituted Indazole Derivatives as Brain Penetrant and Orally Bioavailable JNK3 Inhibitors
Descriptor: 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2021-09-02
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:N -Aromatic-Substituted Indazole Derivatives as Brain-Penetrant and Orally Bioavailable JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSI
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BU of 7ksi by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSK
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BU of 7ksk by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSJ
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BU of 7ksj by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
8GB5
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BU of 8gb5 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 25F9
Descriptor: 25F9 Heavy chain, 25F9 Light chain, BICINE, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2023-02-24
Release date:2023-05-24
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
8GB6
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BU of 8gb6 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 21B6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 21B6 Heavy chain, 21B6 Light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-02-24
Release date:2023-05-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
8GB7
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BU of 8gb7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 20A7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 20A7 Heavy chain, 20A7 Light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-02-24
Release date:2023-05-24
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
8GB8
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BU of 8gb8 by Molmil
Crystal structure of SARS-CoV-2 BA.2 receptor binding domain in complex with neutralizing antibody 20A7
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 20A7 Heavy chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-02-24
Release date:2023-05-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
8DZI
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BU of 8dzi by Molmil
Structure of SARS-CoV-2 Omicron BA.1.1.529 Spike trimer with one RBD down in complex with the Fab fragment of human neutralizing antibody MB.02
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2022-08-07
Release date:2022-08-31
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Function and Cryo-EM structures of broadly potent bispecific antibodies against multiple SARS-CoV-2 Omicron sublineages.
Signal Transduct Target Ther, 8, 2023
3KPX
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BU of 3kpx by Molmil
Crystal Structure Analysis of photoprotein clytin
Descriptor: Apophotoprotein clytin-3, C2-HYDROPEROXY-COELENTERAZINE, CALCIUM ION
Authors:Titushin, M.S, Li, Y, Stepanyuk, G.A, Wang, B.-C, Lee, J, Vysotski, E.S, Liu, Z.-J.
Deposit date:2009-11-17
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:NMR derived topology of a GFP-photoprotein energy transfer complex
J.Biol.Chem., 285, 2010
6UUM
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BU of 6uum by Molmil
Crystal structure of antibody 438-B11 DSS mutant (Cys98A-Cys100aA)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, B11 DSS Fab Heavy Chain, ...
Authors:Kumar, S, Wilson, I.A.
Deposit date:2019-10-30
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
8AON
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BU of 8aon by Molmil
Oxidoreductase fragment of human QSOX1 in complex with a Fab fragment of a humanized anti-QSOX1 antibody
Descriptor: GLYCEROL, Heavy chain, Light chain, ...
Authors:Khmelnitsky, L, Fass, D.
Deposit date:2022-08-08
Release date:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reliable energy-based antibody humanization and stabilization
To Be Published
6L87
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BU of 6l87 by Molmil
Solution structure of the tandem PWWP-ARID domains of human RBBP1
Descriptor: AT-rich interactive domain-containing protein 4A
Authors:Gong, W.B, Perrett, S, Feng, Y.G.
Deposit date:2019-11-05
Release date:2021-01-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insight into chromatin recognition by multiple domains of the tumor suppressor RBBP1.
J.Mol.Biol., 2021
6UTV
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BU of 6utv by Molmil
E. coli sigma-S transcription initiation complex with a 6-nt RNA ("Fresh" crystal soaked with CTP, UTP, GTP, and ddATP for 150 seconds)
Descriptor: DIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UUA
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BU of 6uua by Molmil
E. coli sigma-S transcription initiation complex with a mismatching CTP ("Fresh" crystal soaked with CTP for 2 hours)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.002 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UU3
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BU of 6uu3 by Molmil
E. coli sigma-S transcription initiation complex with a 4-nt RNA and a CTP ("Old" crystal soaked with GTP, ATP, CTP, and ddTTP for 30 minutes)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.002 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UU0
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BU of 6uu0 by Molmil
E. coli sigma-S transcription initiation complex with a 3-nt RNA and a mismatching GTP ("Fresh" crystal soaked with GTP for 1 hour)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
8TTQ
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BU of 8ttq by Molmil
Cryo-EM structure of the inner MKLN1 dimer from an autoinhibited MKLN1 tetramer
Descriptor: Muskelin
Authors:Chana, C.K, Keszei, A.F.A, Sicheri, F.
Deposit date:2023-08-14
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:FAM72A degrades UNG2 through the GID/CTLH complex to promote mutagenic repair during antibody maturation.
Nat Commun, 15, 2024
6KUE
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BU of 6kue by Molmil
The structure of BioZ from Agrobacterium tumefaciens
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase III
Authors:Ouyang, S, Hongxin, G, Sitao, Z.
Deposit date:2019-09-01
Release date:2020-09-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Biochemical and structural characterization of the BioZ enzyme engaged in bacterial biotin synthesis pathway.
Nat Commun, 12, 2021
7BYR
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BU of 7byr by Molmil
BD23-Fab in complex with the S ectodomain trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ...
Authors:Zhu, Q, Wang, G, Xiao, J.
Deposit date:2020-04-24
Release date:2020-06-10
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020
4M7I
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BU of 4m7i by Molmil
Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A Resolution
Descriptor: 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3
Authors:Gampe, R.T, Axten, J.M.
Deposit date:2013-08-12
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery of 5-{4-fluoro-1-[(6-methyl-2-pyridinyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2656157), a Potent and Selective PERK Inhibitor Selected for Preclinical Development
To be Published
4M5D
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BU of 4m5d by Molmil
Crystal structure of the Utp22 and Rrp7 complex from Saccharomyces cerevisiae
Descriptor: Ribosomal RNA-processing protein 7, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Lin, J, Ye, K.
Deposit date:2013-08-08
Release date:2013-11-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An RNA-Binding Complex Involved in Ribosome Biogenesis Contains a Protein with Homology to tRNA CCA-Adding Enzyme.
Plos Biol., 11, 2013
8JLP
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BU of 8jlp by Molmil
Ralmitaront(RO-6889450)-bound hTAAR1-Gs protein complex
Descriptor: 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide, Gs, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023

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