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7VMU
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BU of 7vmu by Molmil
Crystal Structure of SARS-CoV Spike Receptor-Binding Domain Complexed with Neutralizing Antibody
Descriptor: Spike protein S1, scFv E4
Authors:Guo, Y, Wang, W, Jiao, P, Yang, H, Rao, Z, Cheng, G.
Deposit date:2021-10-09
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Antibody engineering improves neutralization activity against K417 spike mutant SARS-CoV-2 variants.
Cell Biosci, 12, 2022
1D9S
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BU of 1d9s by Molmil
TUMOR SUPPRESSOR P15(INK4B) STRUCTURE BY COMPARATIVE MODELING AND NMR DATA
Descriptor: CYCLIN-DEPENDENT KINASE 4 INHIBITOR B
Authors:Yuan, C, Ji, L, Selby, T.L, Byeon, I.J.L, Tsai, M.D.
Deposit date:1999-10-29
Release date:2000-07-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Tumor suppressor INK4: comparisons of conformational properties between p16(INK4A) and p18(INK4C).
J.Mol.Biol., 294, 1999
5X74
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BU of 5x74 by Molmil
The crystal Structure PDE delta in complex with compound (R, R)-1g
Descriptor: (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
Deposit date:2017-02-23
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5X73
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BU of 5x73 by Molmil
The crystal Structure PDE delta in complex with R-p9
Descriptor: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
Deposit date:2017-02-23
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
6LPV
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BU of 6lpv by Molmil
structure of Spermidine hydroxycinnamoyl transferases from Arabidopsis thaliana
Descriptor: COENZYME A, SPERMIDINE, Spermidine hydroxycinnamoyl transferase
Authors:Wang, C.Y, Zhang, P.
Deposit date:2020-01-12
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural and Biochemical Insights Into Two BAHD Acyltransferases ( At SHT and At SDT) Involved in Phenolamide Biosynthesis.
Front Plant Sci, 11, 2020
4EYA
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BU of 4eya by Molmil
Crystal Structure of a Plectonemic RNA Supercoil
Descriptor: GLYCEROL, N utilization substance protein B homolog, RNA (5'-R(*GP*GP*CP*UP*CP*CP*UP*UP*GP*GP*CP*A)-3'), ...
Authors:Stagno, J.R, Ji, X.
Deposit date:2012-05-01
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a plectonemic RNA supercoil.
Nat Commun, 3, 2012
6MX5
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BU of 6mx5 by Molmil
Crystal structure of H-NOX protein from Nostoc sp.
Descriptor: Alr2278 protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Weichsel, A, Kievenaar, J.A, Montfort, W.R.
Deposit date:2018-10-30
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of H-NOX domain from cyanobacteria Nostoc sp
to be published
6N8S
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BU of 6n8s by Molmil
Crystal structure of the human cell polarity protein Lethal Giant Larvae 2 (Lgl2). aPKC phosphorylated, crystal form 3.
Descriptor: Lethal(2) giant larvae protein homolog 2
Authors:Almagor, L, Weis, W.I.
Deposit date:2018-11-30
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural insights into the aPKC regulatory switch mechanism of the human cell polarity protein lethal giant larvae 2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6N8R
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BU of 6n8r by Molmil
Crystal structure of the human cell polarity protein Lethal Giant Larvae 2 (Lgl2). aPKC phosphorylated, crystal form 2.
Descriptor: CHLORIDE ION, GLYCEROL, Lethal(2) giant larvae protein homolog 2
Authors:Almagor, L, Weis, W.I.
Deposit date:2018-11-30
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural insights into the aPKC regulatory switch mechanism of the human cell polarity protein lethal giant larvae 2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6N8Q
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BU of 6n8q by Molmil
Crystal structure of the human cell polarity protein Lethal Giant Larvae 2 (Lgl2). Unphosphorylated, crystal form 2.
Descriptor: CHLORIDE ION, GLYCEROL, Lethal(2) giant larvae protein homolog 2
Authors:Almagor, L, Weis, W.I.
Deposit date:2018-11-30
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the aPKC regulatory switch mechanism of the human cell polarity protein lethal giant larvae 2.
Proc.Natl.Acad.Sci.USA, 116, 2019
5YFG
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BU of 5yfg by Molmil
SOLUTION STRUCTURE OF HUMAN MOG1
Descriptor: Ran guanine nucleotide release factor
Authors:Hu, Q, Liu, Y, Bao, X, Liu, H.
Deposit date:2017-09-21
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
1OIA
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BU of 1oia by Molmil
U1A rnp domain 1-95
Descriptor: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
Authors:Nagai, K, Evans, P.R.
Deposit date:2003-06-12
Release date:2003-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the RNA-Binding Domain of the U1 Small Nuclear Ribonucleoprotein A
Nature, 348, 1990
7LMX
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BU of 7lmx by Molmil
A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
Descriptor: Integrin inhibitor
Authors:Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
Deposit date:2021-02-06
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7LMV
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BU of 7lmv by Molmil
SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6
Descriptor: Integrin inhibitor
Authors:Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
Deposit date:2021-02-05
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
5X72
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BU of 5x72 by Molmil
The crystal Structure PDE delta in complex with (rac)-p9
Descriptor: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
Deposit date:2017-02-23
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
6N8P
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BU of 6n8p by Molmil
Crystal structure of the human cell polarity protein Lethal Giant Larvae 2 (Lgl2). Unphosphorylated, crystal form 1.
Descriptor: CHLORIDE ION, Lethal(2) giant larvae protein homolog 2
Authors:Almagor, L, Weis, W.I.
Deposit date:2018-11-30
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.193 Å)
Cite:Structural insights into the aPKC regulatory switch mechanism of the human cell polarity protein lethal giant larvae 2.
Proc.Natl.Acad.Sci.USA, 116, 2019
7ELY
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BU of 7ely by Molmil
A peptide with high affinity for B-Cell lymphoma2(Bcl-2)
Descriptor: 16X_BCL
Authors:Fan, S, Zha, J, Wu, C.
Deposit date:2021-04-12
Release date:2021-05-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:An evolution-inspired strategy to design disulfide-rich peptides tolerant to extensive sequence manipulation.
Chem Sci, 12, 2021
7JG3
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BU of 7jg3 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF103 inhibitor
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid, SODIUM ION, ...
Authors:Wong-Roushar, J, Dann III, C.E.
Deposit date:2020-07-18
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
7JG4
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BU of 7jg4 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF131 inhibitor
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid, SODIUM ION, ...
Authors:Wong-Roushar, J, Dann III, C.E.
Deposit date:2020-07-18
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
7JG0
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BU of 7jg0 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF102 inhibitor
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
Authors:Wong-Roushar, J, Dann III, C.E.
Deposit date:2020-07-18
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
7K93
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BU of 7k93 by Molmil
DENV2 NS1 in complex with neutralizing 2B7 single chain Fab variable region (scFv)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 single chain fab variable region, Non-structural protein 1
Authors:Akey, D.L, Smith, J.L.
Deposit date:2020-09-28
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
6O3E
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BU of 6o3e by Molmil
mouse aE-catenin 82-883
Descriptor: Catenin alpha-1
Authors:Pokutta, S, Weis, W.I.
Deposit date:2019-02-26
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.001 Å)
Cite:Binding partner- and force-promoted changes in alpha E-catenin conformation probed by native cysteine labeling.
Sci Rep, 9, 2019
5EJN
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BU of 5ejn by Molmil
Crystal structure of Juno, the mammalian egg receptor for sperm Izumo1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sperm-egg fusion protein Juno
Authors:Nishimura, K, Han, L, Jovine, L.
Deposit date:2015-11-02
Release date:2016-02-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Divergent evolution of vitamin B9 binding underlies Juno-mediated adhesion of mammalian gametes.
Curr.Biol., 26, 2016
7E1L
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BU of 7e1l by Molmil
Crystal structure of apo form PhlH
Descriptor: DUF1956 domain-containing protein
Authors:Zhang, N, Wu, J, He, Y.X, Ge, H.
Deposit date:2021-02-01
Release date:2022-02-02
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for coordinating secondary metabolite production by bacterial and plant signaling molecules.
J.Biol.Chem., 298, 2022
7E1N
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BU of 7e1n by Molmil
Crystal structure of PhlH in complex with 2,4-diacetylphloroglucinol
Descriptor: 2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol, DUF1956 domain-containing protein
Authors:Zhang, N, Wu, J, He, Y.X, Ge, H.
Deposit date:2021-02-02
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for coordinating secondary metabolite production by bacterial and plant signaling molecules.
J.Biol.Chem., 298, 2022

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