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4ZY6
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BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
Descriptor: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
Descriptor: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
Descriptor: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:

2CKX
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BU of 2ckx by Molmil
Crystal structure of NgTRF1, double-stranded telomeric repeat binding factor from Nicotiana tabacum.
Descriptor: TELOMERE BINDING PROTEIN TBP1
Authors:Byun, J.-S, Cho, H.-S.
Deposit date:2006-04-24
Release date:2007-05-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the DNA-Binding Domain of Ngtrf1 Reveals Unique Features of Plant Telomere-Binding Proteins.
Nucleic Acids Res., 36, 2008
5IME
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BU of 5ime by Molmil
Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9
Descriptor: 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
Authors:Li, D, Wang, W.
Deposit date:2016-03-06
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.217 Å)
Cite:Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
1JJG
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BU of 1jjg by Molmil
Solution Structure of Myxoma Virus Protein M156R
Descriptor: M156R
Authors:Ramelot, T.A, Cort, J.R, Yee, A.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-07-05
Release date:2002-03-06
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Myxoma virus immunomodulatory protein M156R is a structural mimic of eukaryotic translation initiation factor eIF2alpha.
J.Mol.Biol., 322, 2002
4MLE
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BU of 4mle by Molmil
Human Glucokinase in Complex with Novel Amino Thiazole Activator
Descriptor: 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose
Authors:Voegtli, W.C.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
4MLH
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BU of 4mlh by Molmil
Human Glucokinase in Complex with a Novel Amino Thiazole Allosteric Activator
Descriptor: 3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose
Authors:Voegtli, W.C.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
6AK2
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BU of 6ak2 by Molmil
Crystal structure of the syntenin PDZ1 domain in complex with the peptide inhibitor KSL-128018
Descriptor: Syntenin-1, peptide inhibitor KSL-128018
Authors:Jin, Z.Y, Park, J.H, Yun, J.H, Haugaard-Kedstrom, L.M, Lee, W.T.
Deposit date:2018-08-29
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:A High-Affinity Peptide Ligand Targeting Syntenin Inhibits Glioblastoma.
J.Med.Chem., 64, 2021
6UYC
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BU of 6uyc by Molmil
Crystal structure of TEAD2 bound to Compound 2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide, Transcriptional enhancer factor TEF-4
Authors:Noland, C.L, Holden, J.K, Crawford, J.J, Zbieg, J.R, Cunningham, C.N.
Deposit date:2019-11-12
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.658 Å)
Cite:Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling.
Cell Rep, 31, 2020
6UYB
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BU of 6uyb by Molmil
Crystal structure of TEAD2 bound to Compound 1
Descriptor: (3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Noland, C.L, Holden, J.K, Crawford, J.J, Zbieg, J.R, Cunningham, C.N.
Deposit date:2019-11-12
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling.
Cell Rep, 31, 2020
2XHS
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BU of 2xhs by Molmil
Crystal structure of the ligand binding domain of Fushi tarazu factor 1 of Drosophila melanogaster.
Descriptor: NUCLEAR HORMONE RECEPTOR FTZ-F1, SEGMENTATION PROTEIN FUSHI TARAZU
Authors:Yoo, J.H, Cho, H.S.
Deposit date:2010-06-21
Release date:2011-07-20
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Fushi Tarazu Factor 1 Ligand Binding Domain/Fushi Tarazu Peptide Complex Identifies New Class of Nuclear Receptors.
J.Biol.Chem., 286, 2011
1DMQ
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BU of 1dmq by Molmil
CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B
Descriptor: STEROID DELTA-ISOMERASE
Authors:Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y.
Deposit date:1999-12-14
Release date:2000-05-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B.
Biochemistry, 39, 2000
7CRJ
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BU of 7crj by Molmil
Dark State Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Liu, H, Lee, W.T, Schmidt, M.
Deposit date:2020-08-13
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CRI
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BU of 7cri by Molmil
1 ps Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Liu, H, Lee, W.T, Schmidt, M.
Deposit date:2020-08-13
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CRL
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BU of 7crl by Molmil
Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 50 ps after light activation
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Liu, H, Lee, W.T, Schmidt, M.
Deposit date:2020-08-13
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CRY
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BU of 7cry by Molmil
Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (6.49 mJ/mm2)
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Liu, H, Lee, W.T, Schmidt, M.
Deposit date:2020-08-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CRK
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BU of 7crk by Molmil
2ps Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Liu, H, Lee, W.T, Schmidt, M.
Deposit date:2020-08-13
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CRX
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BU of 7crx by Molmil
Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (2.63mJ/mm2)
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Liu, H, Lee, W.T, Schmidt, M.
Deposit date:2020-08-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CRT
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BU of 7crt by Molmil
Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (0.17mJ/mm2)
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Liu, H, Lee, W.T, Schmidt, M.
Deposit date:2020-08-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CRS
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BU of 7crs by Molmil
Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (0.90mJ/mm2)
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Liu, H, Lee, W.T, Schmidt, M.
Deposit date:2020-08-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Proc.Natl.Acad.Sci.USA, 118, 2021
1DMM
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BU of 1dmm by Molmil
CRYSTAL STRUCTURES OF MUTANT ENZYMES Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B
Descriptor: STEROID DELTA-ISOMERASE
Authors:Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y.
Deposit date:1999-12-14
Release date:2000-05-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B.
Biochemistry, 39, 2000
1DMN
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BU of 1dmn by Molmil
CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F/Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B
Descriptor: STEROID DELTA-ISOMERASE
Authors:Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y.
Deposit date:1999-12-14
Release date:2000-05-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B.
Biochemistry, 39, 2000
2QHB
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BU of 2qhb by Molmil
Crystal structure of NgTRF complexed with telomeric DNA
Descriptor: 5'-D(P*CP*CP*CP*TP*AP*AP*A)-3', 5'-D(P*TP*TP*TP*AP*GP*GP*G)-3', Telomere binding protein TBP1
Authors:Cho, H.-S, Byun, J.-S, Jun, S.-H.
Deposit date:2007-07-02
Release date:2008-07-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Complex structure of plant telomere bindig protein, NgTRF and telomere DNA
To be Published
1OHU
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BU of 1ohu by Molmil
Structure of Caenorhabditis elegans CED-9
Descriptor: APOPTOSIS REGULATOR CED-9
Authors:Jeong, J.-S, Ha, N.-C, Oh, B.-H.
Deposit date:2003-05-31
Release date:2003-08-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Unique Structural Features of a Bcl-2 Family Protein Ced-9 and Biophysical Characterization of Ced-9/Egl-1 Interactions
Cell Death Differ., 10, 2003

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