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5ML5
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BU of 5ml5 by Molmil
Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b
Descriptor: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Buehrmann, M, Rauh, D.
Deposit date:2016-12-06
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
5MTX
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BU of 5mtx by Molmil
Dibenzooxepinone inhibitor 12b in complex with p38 MAPK
Descriptor: 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-01-11
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.
J. Med. Chem., 60, 2017
5MTY
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BU of 5mty by Molmil
Dibenzosuberone inhibitor 8e in complex with p38 MAPK
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, ~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-01-11
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.
J. Med. Chem., 60, 2017
6ZRD
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BU of 6zrd by Molmil
STRUCTURE OF THE HUMAN RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines
Descriptor: 1,3,5-trimethylbenzene, Histone-binding protein RBBP4, macrocyclic peptide based on residues 659-672 of the metastasis-associated protein MTA1
Authors:Vetter, I.R, Porfetye, A.T.
Deposit date:2020-07-13
Release date:2020-12-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure Based Design of Bicyclic Peptide Inhibitors of RbAp48.
Angew.Chem.Int.Ed.Engl., 60, 2021
1P92
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BU of 1p92 by Molmil
Crystal Structure of (H79A)DtxR
Descriptor: BETA-MERCAPTOETHANOL, Diphtheria toxin repressor
Authors:D'Aquino, J.A, Ringe, D.
Deposit date:2003-05-08
Release date:2004-05-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Determinants of the SRC homology domain 3-like fold.
J.Bacteriol., 185, 2003
5N65
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BU of 5n65 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9h
Descriptor: 2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14
Authors:Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D.
Deposit date:2017-02-14
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
5MZ3
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BU of 5mz3 by Molmil
P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide]
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
Authors:Cowan-Jacob, S.W, Scheufler, C.
Deposit date:2017-01-30
Release date:2017-11-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5N64
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BU of 5n64 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9g
Descriptor: 2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14
Authors:Buehrmann, M, Mueller, M.P, Wiedemann, B, 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
5FCJ
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BU of 5fcj by Molmil
Structure of the anisomycin-containing uL3 W255C mutant 80S yeast ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Mailliot, J, Garreau de Loubresse, N, Yusupova, G, Dinman, J.D, Yusupov, M.
Deposit date:2015-12-15
Release date:2016-05-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structures of the uL3 Mutant Ribosome: Illustration of the Importance of Ribosomal Proteins for Translation Efficiency.
J.Mol.Biol., 428, 2016
3BJA
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BU of 3bja by Molmil
Crystal structure of putative MarR-like transcription regulator (NP_978771.1) from Bacillus cereus ATCC 10987 at 2.38 A resolution
Descriptor: Transcriptional regulator, MarR family, putative
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-12-03
Release date:2007-12-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal structure of putative MarR-like transcription regulator (NP_978771.1) from Bacillus cereus ATCC 10987 at 2.38 A resolution
To be published
5FCI
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BU of 5fci by Molmil
Structure of the vacant uL3 W255C mutant 80S yeast ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Mailliot, J, Garreau de Loubresse, N, Yusupova, G, Dinman, J.D, Yusupov, M.
Deposit date:2015-12-15
Release date:2016-05-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal Structures of the uL3 Mutant Ribosome: Illustration of the Importance of Ribosomal Proteins for Translation Efficiency.
J.Mol.Biol., 428, 2016
7S67
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BU of 7s67 by Molmil
Extended conformation of daytime state KaiC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, ...
Authors:Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C.
Deposit date:2021-09-13
Release date:2021-09-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Coupling of distant ATPase domains in the circadian clock protein KaiC.
Nat.Struct.Mol.Biol., 29, 2022
7S65
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BU of 7s65 by Molmil
Compressed conformation of nighttime state KaiC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, ...
Authors:Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C.
Deposit date:2021-09-13
Release date:2021-09-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Coupling of distant ATPase domains in the circadian clock protein KaiC.
Nat.Struct.Mol.Biol., 29, 2022
7S66
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BU of 7s66 by Molmil
Extended conformation of nighttime state KaiC
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION
Authors:Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C.
Deposit date:2021-09-13
Release date:2021-09-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Coupling of distant ATPase domains in the circadian clock protein KaiC.
Nat.Struct.Mol.Biol., 29, 2022
6ZRC
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BU of 6zrc by Molmil
Structure of the human RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines
Descriptor: Histone-binding protein RBBP4, PARA-XYLENE, macrocyclic peptide based on residues 659-672 of the metastasis-associated protein MTA1
Authors:Vetter, I.R, Porfetye, A.T.
Deposit date:2020-07-13
Release date:2020-10-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure Based Design of Bicyclic Peptide Inhibitors of RbAp48.
Angew.Chem.Int.Ed.Engl., 60, 2021
5VHF
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BU of 5vhf by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 10, ...
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:2023-08-16
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
5VHH
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BU of 5vhh by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 10, ...
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:2023-08-16
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
5VHI
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BU of 5vhi by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 10, ...
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:2023-08-16
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
5N66
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BU of 5n66 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j
Descriptor: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
Authors:Buehrmann, M, Mueller, M.P, Wiedemann, B, 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
7MKX
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BU of 7mkx by Molmil
Crystal Structure Analysis of human CDK2 and CCNA2 complex
Descriptor: 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2021-04-27
Release date:2022-11-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Crystal Structure Analysis of human CDK2 and CCNA2 complex
To Be Published
7Z20
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BU of 7z20 by Molmil
70S E. coli ribosome with an extended uL23 loop from Candidatus marinimicrobia and a stalled filamin domain 5 nascent chain
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Mitropoulou, A, Plessa, E, Wlodarski, T, Ahn, M, Sidhu, H, Becker, T.A, Beckmann, R, Cabrita, L.D, Christodoulou, J.
Deposit date:2022-02-25
Release date:2022-08-10
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.29 Å)
Cite:Modulating co-translational protein folding by rational design and ribosome engineering.
Nat Commun, 13, 2022
7ZPC
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BU of 7zpc by Molmil
CDK2 in complex 9K-DOS
Descriptor: Cyclin-dependent kinase 2, ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide
Authors:Watt, J.E, Martin, M.P, Noble, M.E.N.
Deposit date:2022-04-27
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity.
J.Med.Chem., 65, 2022
3BHQ
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BU of 3bhq by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE TETR-FAMILY TRANSCRIPTIONAL REGULATOR (MLR_4833) FROM MESORHIZOBIUM LOTI MAFF303099 AT 1.54 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Transcriptional regulator
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-11-28
Release date:2007-12-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of TetR-family transcriptional regulator (NP_105615.1) from Mesorhizobium loti at 1.54 A resolution
To be published
3BIL
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BU of 3bil by Molmil
Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum
Descriptor: Probable LacI-family transcriptional regulator
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-11-30
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum.
To be Published
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

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