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4I6F
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BU of 4i6f by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
Descriptor: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
Authors:Pan, H.
Deposit date:2012-11-29
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
8AM9
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BU of 8am9 by Molmil
Cryo-EM structure of the proline-rich antimicrobial peptide drosocin bound to the elongating ribosome
Descriptor: 16S ribosomal RNA, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 23S ribosomal RNA, ...
Authors:Koller, T.O, Morici, M, Wilson, D.N.
Deposit date:2022-08-03
Release date:2023-03-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for translation inhibition by the glycosylated drosocin peptide.
Nat.Chem.Biol., 19, 2023
8AKN
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BU of 8akn by Molmil
Cryo-EM structure of the proline-rich antimicrobial peptide drosocin bound to the terminating ribosome
Descriptor: 16S ribosomal RNA, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 23S ribosomal RNA, ...
Authors:Koller, T.O, Morici, M, Wilson, D.N.
Deposit date:2022-07-30
Release date:2023-03-08
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis for translation inhibition by the glycosylated drosocin peptide.
Nat.Chem.Biol., 19, 2023
8ANA
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BU of 8ana by Molmil
Cryo-EM structure of the proline-rich antimicrobial peptide drosocin bound to the 50S ribosomal subunit
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Koller, T.O, Morici, M, Wilson, D.N.
Deposit date:2022-08-05
Release date:2023-03-08
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Structural basis for translation inhibition by the glycosylated drosocin peptide.
Nat.Chem.Biol., 19, 2023
7JU2
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BU of 7ju2 by Molmil
Crystal structure of the monomeric ETV6 PNT domain
Descriptor: FORMIC ACID, Transcription factor ETV6
Authors:Gerak, C.A.N, Kolesnikov, M, Murphy, M.E.P, McIntosh, L.P.
Deposit date:2020-08-19
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85002184 Å)
Cite:Biophysical characterization of the ETV6 PNT domain polymerization interfaces.
J.Biol.Chem., 296, 2021
7PV0
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BU of 7pv0 by Molmil
Crystal structure of a Mic60-Mic19 fusion protein
Descriptor: MICOS complex subunit MIC60,MICOS complex subunit MIC60-MIC19,Mic60-Mic19, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
Authors:Funck, K, Bock-Bierbaum, T, Daumke, O.
Deposit date:2021-10-01
Release date:2022-09-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into crista junction formation by the Mic60-Mic19 complex.
Sci Adv, 8, 2022
5MZI
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BU of 5mzi by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Descriptor: 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rowland, P.
Deposit date:2017-01-31
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
4MOY
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BU of 4moy by Molmil
Structure of a second nuclear PP1 Holoenzyme, crystal form 1
Descriptor: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Choy, M.S, Hieke, M, Peti, W, Page, R.
Deposit date:2013-09-12
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1953 Å)
Cite:Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MP0
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BU of 4mp0 by Molmil
Structure of a second nuclear PP1 Holoenzyme, crystal form 2
Descriptor: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Choy, M.S, Hieke, M, Peti, W, Page, R.
Deposit date:2013-09-12
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1003 Å)
Cite:Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CSV
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BU of 4csv by Molmil
Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, SRC-ABL TYROSINE KINASE ANCESTOR
Authors:Kutter, S, Wilson, C, Cruz, L, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Kern, D.
Deposit date:2014-03-10
Release date:2015-03-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
5MZC
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BU of 5mzc by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-ethoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Descriptor: 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rowland, P.
Deposit date:2017-01-31
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
8UBH
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BU of 8ubh by Molmil
Solution NMR structure of KaiB variant from Thermosynechococcus elongatus vestitus (KaiBTV-4)
Descriptor: Circadian oscillation regulator
Authors:Ojoawo, A, Wayment-Steele, H.K, Kern, D.
Deposit date:2023-09-23
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Predicting multiple conformations via sequence clustering and AlphaFold2.
Nature, 625, 2024
4MOV
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BU of 4mov by Molmil
1.45 A Resolution Crystal Structure of Protein Phosphatase 1
Descriptor: CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Choy, M.S, Peti, W, Page, R.
Deposit date:2013-09-12
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4503 Å)
Cite:Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
Proc.Natl.Acad.Sci.USA, 111, 2014
5G3Z
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BU of 5g3z by Molmil
Crystal structure of adenylate kinase ancestor 3 with Zn, Mg and Ap5A bound
Descriptor: ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
Authors:Nguyen, V, Kutter, S, English, J, Kern, D.
Deposit date:2016-05-03
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5G15
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BU of 5g15 by Molmil
Structure Aurora A (122-403) bound to activating monobody Mb1 and AMPPCP
Descriptor: AURORA A KINASE, MAGNESIUM ION, MB1 MONOBODY, ...
Authors:Zorba, A, Kutter, S, Kern, D, Koide, S, Koide, A.
Deposit date:2016-03-23
Release date:2018-03-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Allosteric modulation of a human protein kinase with monobodies.
Proc.Natl.Acad.Sci.USA, 116, 2019
5G3Y
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BU of 5g3y by Molmil
Crystal structure of adenylate kinase ancestor 1 with Zn and ADP bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ZINC ION
Authors:Nguyen, V, Kutter, S, English, J, Kern, D.
Deposit date:2016-05-03
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5G41
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BU of 5g41 by Molmil
Crystal structure of adenylate kinase ancestor 4 with Zn, Mg and Ap5A bound
Descriptor: ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
Authors:Nguyen, V, Kutter, S, English, J, Kern, D.
Deposit date:2016-05-03
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5G40
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BU of 5g40 by Molmil
Crystal structure of adenylate kinase ancestor 4 with Zn and AMP-ADP bound
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ...
Authors:Nguyen, V, Kutter, S, English, J, Kern, D.
Deposit date:2016-05-03
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5BX0
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BU of 5bx0 by Molmil
An Automated Microscale Thermophoresis Screening Approach for Fragment-Based Lead Discovery
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, ethyl 2H-indazole-5-carboxylate
Authors:Vallee, F, Steier, V, Rak, A.
Deposit date:2015-06-08
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:An Automated Microscale Thermophoresis Screening Approach for Fragment-Based Lead Discovery.
J Biomol Screen, 21, 2016
4H1U
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BU of 4h1u by Molmil
Nucleotide-free human dynamin-1-like protein GTPase-GED fusion
Descriptor: CITRATE ANION, Dynamin-1-like protein
Authors:Wenger, J, Klinglmayr, E, Puehringer, S, Goettig, P.
Deposit date:2012-09-11
Release date:2013-08-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses.
Plos One, 8, 2013
4OKA
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BU of 4oka by Molmil
Structural-, Kinetic- and Docking Studies of Artificial Imine Reductases Based on the Biotin-Streptavidin Technology: An Induced Lock-and-Key Hypothesis
Descriptor: IRIDIUM ION, Streptavidin, [N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(III)
Authors:Schirmer, T, Heinisch, T.
Deposit date:2014-01-22
Release date:2014-11-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.505 Å)
Cite:Structural, Kinetic, and Docking Studies of Artificial Imine Reductases Based on Biotin-Streptavidin Technology: An Induced Lock-and-Key Hypothesis
J.Am.Chem.Soc., 136, 2014
1JBU
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BU of 1jbu by Molmil
Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183
Descriptor: BENZAMIDINE, COAGULATION FACTOR VII, Peptide exosite inhibitor A-183, ...
Authors:Eigenbrot, C, Kirchhofer, D, Dennis, M.S, Santell, L, Lazarus, R.A, Stamos, J, Ultsch, M.H.
Deposit date:2001-06-06
Release date:2001-07-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The factor VII zymogen structure reveals reregistration of beta strands during activation.
Structure, 9, 2001

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數據於2024-07-24公開中

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