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3FKL
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BU of 3fkl by Molmil
P38 kinase crystal structure in complex with RO9552
Descriptor: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-17
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FKO
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BU of 3fko by Molmil
P38 kinase crystal structure in complex with RO3668
Descriptor: 3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-17
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
2EWA
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BU of 2ewa by Molmil
Dual binding mode of pyridinylimidazole to MAP kinase p38
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14
Authors:Delarbre, L, Pouzieux, S, Guilloteau, J.-P, Michot, N.
Deposit date:2005-11-02
Release date:2006-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NMR characterization of kinase p38 dynamics in free and ligand-bound forms.
Angew.Chem.Int.Ed.Engl., 45, 2006
5FLV
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BU of 5flv by Molmil
Crystal structure of NKX2-5 and TBX5 bound to the Nppa promoter region
Descriptor: 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3', 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3', HOMEOBOX PROTEIN NKX-2.5, ...
Authors:Stirnimann, C.U, Glatt, S, Mueller, C.W.
Deposit date:2015-10-28
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Complex Interdependence Regulates Heterotypic Transcription Factor Distribution and Coordinates Cardiogenesis.
Cell(Cambridge,Mass.), 164, 2016
8TO0
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BU of 8to0 by Molmil
48-nm repeating structure of doublets from mouse sperm flagella
Descriptor: Cilia- and flagella- associated protein 210, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
Authors:Chen, Z, Shiozak, M, Hass, K.M, Skinner, W, Zhao, S, Guo, C, Polacco, B.J, Yu, Z, Krogan, N.J, Kaake, R.M, Vale, R.D, Agard, D.A.
Deposit date:2023-08-02
Release date:2023-11-01
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:De novo protein identification in mammalian sperm using in situ cryoelectron tomography and AlphaFold2 docking.
Cell, 186, 2023
5FYQ
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BU of 5fyq by Molmil
Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide
Descriptor: NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, RAN AA 31-43, SULFATE ION, ...
Authors:Knyphausen, P, de Boor, S, Scislowski, L, Extra, A, Baldus, L, Schacherl, M, Baumann, U, Neundorf, I, Lammers, M.
Deposit date:2016-03-09
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights Into Lysine-Deacetylation of Natively Folded Substrate Proteins by Sirtuins.
J.Biol.Chem., 291, 2016
7PSX
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BU of 7psx by Molmil
Structure of HOXB13 bound to hydroxymethylated DNA
Descriptor: DNA (5'-D(P*GP*GP*AP*CP*CP*TP*5HCP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13, ...
Authors:Morgunova, E, Popov, A, Yin, Y, Taipale, J.
Deposit date:2021-09-24
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of HOXB13 bound to hydroxymethylated DNA
To Be Published
2LGC
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BU of 2lgc by Molmil
Joint NMR and X-ray refinement reveals the structure of a novel dibenzo[a,d]cycloheptenone inhibitor/p38 MAP kinase complex in solution
Descriptor: Mitogen-activated protein kinase 14
Authors:Habeck, M.
Deposit date:2011-07-25
Release date:2012-07-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inferential NMR/X-ray-based structure determination of a dibenzo[a,d]cycloheptenone inhibitor-p38alpha MAP kinase complex in solution
Angew.Chem.Int.Ed.Engl., 51, 2012
4NEJ
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BU of 4nej by Molmil
Small molecular fragment bound to crystal contact interface of Interleukin-2
Descriptor: 5-methylfuran-2-carboxylic acid, Interleukin-2
Authors:Brenke, R, Jehle, S, Vajda, S, Allen, K.N, Kozakov, D.
Deposit date:2013-10-29
Release date:2014-11-19
Method:X-RAY DIFFRACTION (1.919 Å)
Cite:Small molecular fragments bound to binding energy hot-spot in crystal contact interface of Interleukin-2
To be Published
7Q3O
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BU of 7q3o by Molmil
Structure of CDX1 bound to hydroxymethylated DNA
Descriptor: Homeobox protein CDX-1, hydroxymethylated DNA (18-MER)
Authors:Morgunova, E, Yin, Y, Popov, A, Taipale, J.
Deposit date:2021-10-28
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structure of CDX1 bound to hydroxymethylated DNA
To Be Published
8IFG
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BU of 8ifg by Molmil
Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe
Descriptor: Chromatin modification-related protein eaf3, Cph1, Cph2, ...
Authors:Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D.
Deposit date:2023-02-17
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Class I histone deacetylase complex: Structure and functional correlates.
Proc Natl Acad Sci U S A, 120, 2023
8A4F
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BU of 8a4f by Molmil
Human Interleukin-4 mutant - C3T-IL4
Descriptor: Interleukin-4
Authors:Vaz, D.C, Rodrigues, J.R, Mueller, T.D, Sebald, W, Redfield, C, Brito, R.M.M.
Deposit date:2022-06-11
Release date:2023-10-18
Last modified:2024-01-17
Method:SOLUTION NMR
Cite:Lessons on protein structure from interleukin-4: All disulfides are not created equal.
Proteins, 92, 2024
7QHS
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BU of 7qhs by Molmil
S. cerevisiae CMGE nucleating origin DNA melting
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, ...
Authors:Lewis, J.S, Sousa, J.S, Costa, A.
Deposit date:2021-12-14
Release date:2022-06-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanism of replication origin melting nucleated by CMG helicase assembly.
Nature, 606, 2022
5VHM
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BU of 5vhm by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome non-ATPase regulatory subunit 10, 26S proteasome non-ATPase regulatory subunit 2, 26S proteasome regulatory subunit 10B, ...
Authors:Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
Deposit date:2017-04-13
Release date:2017-08-23
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (8.3 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
6DKS
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BU of 6dks by Molmil
Structure of the Rbpj-SHARP-DNA Repressor Complex
Descriptor: DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), Maltose/maltodextrin-binding periplasmic protein, ...
Authors:Kovall, R.A, VanderWielen, B.D, Yuan, Z.
Deposit date:2018-05-30
Release date:2019-01-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural and Functional Studies of the RBPJ-SHARP Complex Reveal a Conserved Corepressor Binding Site.
Cell Rep, 26, 2019
5CXR
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BU of 5cxr by Molmil
Influenza endonuclease complexed with 4-bromopyrazole
Descriptor: 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, MANGANESE (II) ION, ...
Authors:Bauman, J.D, Arnold, E.
Deposit date:2015-07-29
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Rapid experimental SAD phasing and hot-spot identification with halogenated fragments.
IUCrJ, 3, 2016
7C9Q
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BU of 7c9q by Molmil
Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with Mg2+ and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
Authors:Huang, Y, Li, R, Wan, J.
Deposit date:2020-06-07
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with Mg2+ and AMP
To Be Published
4NEM
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BU of 4nem by Molmil
Small molecular fragment bound to crystal contact interface of Interleukin-2
Descriptor: 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid, Interleukin-2
Authors:Jehle, S, Brenke, R, Vajda, S, Allen, K.N, Kozakov, D.
Deposit date:2013-10-29
Release date:2014-11-19
Method:X-RAY DIFFRACTION (1.934 Å)
Cite:Small molecular fragments bound to binding energy hot-spot in crystal contact interface of Interleukin-2
To be Published
7CWE
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BU of 7cwe by Molmil
Human Fructose-1,6-bisphosphatase 1 in APO R-state
Descriptor: Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
Authors:Chen, Y, Zhang, J, Li, C, Cao, Y.
Deposit date:2020-08-28
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human Fructose-1,6-bisphosphatase 1 in APO R-state
To Be Published
3A4S
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BU of 3a4s by Molmil
The crystal structure of the SLD2:Ubc9 complex
Descriptor: NFATC2-interacting protein, SUMO-conjugating enzyme UBC9
Authors:Sekiyama, N, Arita, K, Ikeda, Y, Ariyoshi, M, Tochio, H, Saitoh, H, Shirakawa, M.
Deposit date:2009-07-14
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for regulation of poly-SUMO chain by a SUMO-like domain of Nip45
Proteins, 78, 2009
7CVH
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BU of 7cvh by Molmil
Human Fructose-1,6-bisphosphatase 1 in complex with geranylgeranyl diphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Chen, Y, Zhang, J, Li, C, Cao, Y.
Deposit date:2020-08-26
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The structural basis for GGPP activation on the enzymatic activities FBP1
To Be Published
7DNO
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BU of 7dno by Molmil
Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique
Descriptor: CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5
Authors:Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T.
Deposit date:2020-12-10
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5.
Molecules, 26, 2021
5VHO
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BU of 5vho by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome non-ATPase regulatory subunit 10, 26S proteasome non-ATPase regulatory subunit 2, 26S proteasome regulatory subunit 10B, ...
Authors:Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
Deposit date:2017-04-13
Release date:2017-08-23
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (8.3 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
8UII
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BU of 8uii by Molmil
Cryo-EM map of human clamp-clamp loader ATAD5-RFC-closed PCNA complex in intermediate state 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-10
Release date:2024-05-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
8UI7
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BU of 8ui7 by Molmil
Cryo-EM map of human clmap-clamp loader ATAD5-RFC-gapped PCNA complex in intermediate state 3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-10
Release date:2024-05-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024

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PDB entries from 2024-08-07

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