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5FD6
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BU of 5fd6 by Molmil
zinc-bound manganese uptake regulator
Descriptor: Ferric uptake regulation protein, GLYCEROL, SULFATE ION, ...
Authors:Bellini, D, Hemmings, A.M, Walsh, M.A.
Deposit date:2015-12-15
Release date:2016-12-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:structure of a zinc-bound manganese uptake regulator, mur
To Be Published
5UQ3
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BU of 5uq3 by Molmil
Crystal structure of human Cdk2-Spy1-P27 ternary complex
Descriptor: Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, Speedy protein A
Authors:McGrath, D.A, Tripathi, S.M, Rubin, S.M.
Deposit date:2017-02-06
Release date:2017-07-05
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis of divergent cyclin-dependent kinase activation by Spy1/RINGO proteins.
EMBO J., 36, 2017
8OO2
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BU of 8oo2 by Molmil
ChdA complex with amido-chelocardin
Descriptor: 2-carboxamido-2-deacetyl-chelocardin, MAGNESIUM ION, Putative transcriptional regulator
Authors:Koehnke, J, Sikandar, A.
Deposit date:2023-04-04
Release date:2023-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Revision of the Absolute Configurations of Chelocardin and Amidochelocardin.
Angew.Chem.Int.Ed.Engl., 62, 2023
5N67
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BU of 5n67 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9l
Descriptor: 1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone, Mitogen-activated protein kinase 14
Authors:Buehrmann, M, Mueller, M.P, Rauh, D.
Deposit date:2017-02-14
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
5N68
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BU of 5n68 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9m
Descriptor: 2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14
Authors:Buehrmann, M, Mueller, M.P, Rauh, D.
Deposit date:2017-02-14
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
5N63
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BU of 5n63 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9c
Descriptor: Mitogen-activated protein kinase 14, ~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine
Authors:Buehrmann, M, Mueller, M.P, Rauh, D.
Deposit date:2017-02-14
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
4I80
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BU of 4i80 by Molmil
Crystal structure of human menin in complex with a high-affinity macrocyclic peptidomimetics
Descriptor: Menin, macrocyclic peptidomimetic
Authors:Huang, J, Lei, M.
Deposit date:2012-12-01
Release date:2013-03-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Design of High-Affinity Macrocyclic Peptidomimetics to Block the Menin-Mixed Lineage Leukemia 1 (MLL1) Protein-Protein Interaction.
J.Med.Chem., 56, 2013
5NZZ
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BU of 5nzz by Molmil
Crystal structure of phosphorylated p38aMAPK in complex with TAB1
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 14, NICKEL (II) ION, ...
Authors:Nichols, C.E, De Nicola, G.F.
Deposit date:2017-05-15
Release date:2018-05-30
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The TAB1-p38 alpha complex aggravates myocardial injury and can be targeted by small molecules.
JCI Insight, 3, 2018
5GJQ
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BU of 5gjq by Molmil
Structure of the human 26S proteasome bound to USP14-UbAl
Descriptor: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
Authors:Huang, X.L, Luan, B, Wu, J.P, Shi, Y.G.
Deposit date:2016-07-01
Release date:2016-08-17
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:An atomic structure of the human 26S proteasome.
Nat. Struct. Mol. Biol., 23, 2016
6R6P
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BU of 6r6p by Molmil
Structure of XBP1u-paused ribosome nascent chain complex (rotated state)
Descriptor: 18S rRNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
Authors:Shanmuganathan, V, Cheng, J, Berninghausen, O, Beckmann, R.
Deposit date:2019-03-27
Release date:2019-07-10
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and mutational analysis of the ribosome-arresting human XBP1u.
Elife, 8, 2019
6R6G
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BU of 6r6g by Molmil
Structure of XBP1u-paused ribosome nascent chain complex with SRP.
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
Authors:Shanmuganathan, V, Cheng, J, Braunger, K, Berninghausen, O, Beatrix, B, Beckmann, R.
Deposit date:2019-03-27
Release date:2019-07-10
Last modified:2019-10-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural and mutational analysis of the ribosome-arresting human XBP1u.
Elife, 8, 2019
5O8U
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BU of 5o8u by Molmil
Covalent Inhibitor 4b bound to the Lipid Pocket of p38alpha Mutant S252C
Descriptor: 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one, Mitogen-activated protein kinase 14
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-06-14
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants.
Angew. Chem. Int. Ed. Engl., 56, 2017
3NRV
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BU of 3nrv by Molmil
Crystal structure of MarR/EmrR family transcriptional regulator from Acinetobacter sp. ADP1
Descriptor: GLYCEROL, Putative transcriptional regulator (MarR/EmrR family), SODIUM ION, ...
Authors:Zhang, R, Wu, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-06-30
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal structure of MarR/EmrR family transcriptional regulator from Acinetobacter sp. ADP1
To be Published
5FLX
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BU of 5flx by Molmil
Mammalian 40S HCV-IRES complex
Descriptor: 18S RRNA, 40S RIBOSOMAL PROTEIN S10, 40S RIBOSOMAL PROTEIN S11, ...
Authors:Yamamoto, H, Collier, M, Loerke, J, Ismer, J, Schmidt, A, Hilal, T, Sprink, T, Yamamoto, K, Mielke, T, Burger, J, Shaikh, T.R, Dabrowski, M, Hildebrand, P.W, Scheerer, P, Spahn, C.M.T.
Deposit date:2015-10-28
Release date:2015-12-23
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular Architecture of the Ribosome-Bound Hepatitis C Virus Internal Ribosomal Entry Site RNA.
Embo J., 34, 2015
6C48
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BU of 6c48 by Molmil
Crystal structure of B-Myb-LIN9-LIN52 complex
Descriptor: Myb-related protein B, Protein lin-52 homolog, Protein lin-9 homolog, ...
Authors:Guiley, K.Z, Tripathi, S.M, Rubin, S.M.
Deposit date:2018-01-11
Release date:2018-09-19
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural mechanism of Myb-MuvB assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3M0E
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BU of 3m0e by Molmil
Crystal structure of the ATP-bound state of Walker B mutant of NtrC1 ATPase domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Transcriptional regulator (NtrC family)
Authors:Chen, B, Sysoeva, T.A, Chowdhury, S, Rusu, M, Birmanns, S, Guo, L, Hanson, J, Yang, H, Nixon, B.T.
Deposit date:2010-03-02
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Engagement of Arginine Finger to ATP Triggers Large Conformational Changes in NtrC1 AAA+ ATPase for Remodeling Bacterial RNA Polymerase.
Structure, 18, 2010
3NQO
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BU of 3nqo by Molmil
Crystal structure of a MarR family transcriptional regulator (CD1569) from Clostridium difficile 630 at 2.20 A resolution
Descriptor: GLYCEROL, MarR-family transcriptional regulator, SODIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-06-29
Release date:2010-07-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a MarR family transcriptional regulator (CD1569) from Clostridium difficile 630 at 2.20 A resolution
To be published
5IF1
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BU of 5if1 by Molmil
Crystal structure apo CDK2/cyclin A
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2
Authors:Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
Deposit date:2016-02-25
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
4MO1
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BU of 4mo1 by Molmil
Crystal structure of antitermination protein Q from bacteriophage lambda. Northeast Structural Genomics Consortium target OR18A.
Descriptor: Antitermination protein Q, BROMIDE ION, CHLORIDE ION, ...
Authors:Vorobiev, S, Su, M, Nickels, B, Seetharaman, J, Sahdev, S, Xiao, R, Kogan, S, Maglaqui, M, Wang, D, Everett, J.K, Acton, T.B, Ebright, R.H, Montelione, G.T, Hunt, J, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-09-11
Release date:2013-09-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Crystal structure of antitermination protein Q from bacteriophage lambda.
To be Published
5LQW
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BU of 5lqw by Molmil
yeast activated spliceosome
Descriptor: Pre-mRNA leakage protein 1, Pre-mRNA-processing protein 45, Pre-mRNA-splicing factor 8, ...
Authors:Rauhut, R, Luehrmann, R.
Deposit date:2016-08-17
Release date:2016-10-05
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Molecular architecture of the Saccharomyces cerevisiae activated spliceosome
Science, 6306, 2016
8FZD
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BU of 8fzd by Molmil
Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with apoRF3, RF1, P- and E-site tRNAPhe (Composite state I-B)
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G.
Deposit date:2023-01-28
Release date:2024-07-17
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The ribosome termination complex remodels release factor RF3 and ejects GDP.
Nat.Struct.Mol.Biol., 2024
8FZI
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BU of 8fzi by Molmil
Cryo-EM structure of an E. coli rotated ribosome bound with RF3-GDPCP and p/E-tRNAPhe (Composite state II-B)
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G.
Deposit date:2023-01-28
Release date:2024-07-17
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The ribosome termination complex remodels release factor RF3 and ejects GDP.
Nat.Struct.Mol.Biol., 2024
5IEY
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BU of 5iey by Molmil
Crystal structure of a CDK inhibitor bound to CDK2
Descriptor: 4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide, Cyclin-dependent kinase 2
Authors:Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
Deposit date:2016-02-25
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
6ATH
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BU of 6ath by Molmil
Cdk2/cyclin A/p27-KID-deltaC
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ...
Authors:White, S.W, Yun, M.
Deposit date:2017-08-29
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Dynamic anticipation by Cdk2/Cyclin A-bound p27 mediates signal integration in cell cycle regulation.
Nat Commun, 10, 2019
7RWE
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BU of 7rwe by Molmil
Crystal structure of CDK2 liganded with compound GPHR787
Descriptor: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-08-19
Release date:2022-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023

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數據於2024-10-09公開中

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