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1Z6R
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BU of 1z6r by Molmil
Crystal structure of Mlc from Escherichia coli
Descriptor: Mlc protein, ZINC ION
Authors:Schiefner, A, Gerber, K, Seitz, S, Welte, W, Diederichs, K, Boos, W.
Deposit date:2005-03-23
Release date:2005-06-14
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of Mlc, a global regulator of sugar metabolism in Escherichia coli
J.Biol.Chem., 280, 2005
5CYI
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BU of 5cyi by Molmil
CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300)
Descriptor: 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J.
Deposit date:2015-07-30
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015
5TUR
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BU of 5tur by Molmil
Pim-1 kinase in complex with a 7-azaindole
Descriptor: 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1
Authors:Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D, Mclean, L.
Deposit date:2016-11-07
Release date:2017-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.948 Å)
Cite:Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
5SY6
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BU of 5sy6 by Molmil
Atomic resolution structure of human DJ-1, DTT bound
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
5T0F
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BU of 5t0f by Molmil
Crystal structure of the Myc3 N-terminal domain [44-242] in complex with JAZ10 CMID domain [16-58] from arabidopsis
Descriptor: Protein TIFY 9, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Brunzelle, J.S, He, S.Y, Xu, H.E, Melcher, K.
Deposit date:2016-08-16
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into alternative splicing-mediated desensitization of jasmonate signaling.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8BTJ
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BU of 8btj by Molmil
Murine cytomegalovirus protein M35
Descriptor: (R,R)-2,3-BUTANEDIOL, MALONATE ION, Protein M35
Authors:Schmelz, S, Van den Heuvel, J, Blankenfeldt, W.
Deposit date:2022-11-29
Release date:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The Cytomegalovirus M35 Protein Directly Binds to the Interferon-beta Enhancer and Modulates Transcription of Ifnb1 and Other IRF3-Driven Genes.
J.Virol., 97, 2023
6E1H
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BU of 6e1h by Molmil
Structure of 2:1 human Ptch1-Shh-N complex
Descriptor: CALCIUM ION, PALMITIC ACID, Protein patched homolog 1, ...
Authors:Qi, X, Li, X.
Deposit date:2018-07-09
Release date:2018-08-29
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Two Patched molecules engage distinct sites on Hedgehog yielding a signaling-competent complex.
Science, 362, 2018
5V80
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BU of 5v80 by Molmil
PIM1 kinase in complex with Cpd1 (1-methyl-4-(3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one)
Descriptor: 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H.
Deposit date:2017-03-21
Release date:2018-04-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017
5UX5
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BU of 5ux5 by Molmil
Structure of Proline Utilization A (PutA) from Corynebacterium freiburgense
Descriptor: BIFUNCTIONAL PROTEIN Proline utilization A (PutA), FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Tanner, J.J.
Deposit date:2017-02-22
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and characterization of a class 3B proline utilization A: Ligand-induced dimerization and importance of the C-terminal domain for catalysis.
J. Biol. Chem., 292, 2017
5ANJ
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BU of 5anj by Molmil
Crystal structure of CDK2 in complex with N-(9H-purin-6-yl)thiophene- 2-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: CYCLIN-DEPENDENT KINASE 2, N-(9H-purin-6-yl)thiophene-2-carboxamide
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
5ANO
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BU of 5ano by Molmil
Crystal structure of CDK2 processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
2N1V
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BU of 2n1v by Molmil
Solution structure of human SUMO1
Descriptor: Small ubiquitin-related modifier 1
Authors:Naik, M.T, Naik, N, Shih, H, Huang, T.
Deposit date:2015-04-24
Release date:2016-04-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of human SUMO
To Be Published
2N1A
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BU of 2n1a by Molmil
Docked structure between SUMO1 and ZZ-domain from CBP
Descriptor: CREB-binding protein, Small ubiquitin-related modifier 1, ZINC ION
Authors:Diehl, C.
Deposit date:2015-03-26
Release date:2016-05-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Analysis of a Complex between Small Ubiquitin-like Modifier 1 (SUMO1) and the ZZ Domain of CREB-binding Protein (CBP/p300) Reveals a New Interaction Surface on SUMO.
J.Biol.Chem., 291, 2016
5ANK
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BU of 5ank by Molmil
Crystal structure of CDK2 in complex with 2,4,6-trioxo-1-phenyl- hexahydropyrimidine-5-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: 2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
2MW5
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BU of 2mw5 by Molmil
Backbone fold of Human Small Ubiquitin like Modifier protein-1 (SUMO-1) based on Prot3D-NMR approach.
Descriptor: Small ubiquitin-related modifier 1
Authors:Kumar, D, Jaiswal, N, Raikwal, N, Shukla, V, Arora, A.
Deposit date:2014-10-28
Release date:2014-12-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Prot3DNMR: A simple and swift NMR strategy for Three-Dimentional structutral determination of proteins.
To be Published
4ZTH
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BU of 4zth by Molmil
Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery
Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine, BETA-MERCAPTOETHANOL, ...
Authors:Grum-Tokars, V.L, Roy, S.M, Watterson, D.M.
Deposit date:2015-05-14
Release date:2016-06-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019
4PTA
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BU of 4pta by Molmil
Structure of MDR initiator
Descriptor: Replication initiator protein
Authors:Schumacher, M.A.
Deposit date:2014-03-10
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6003 Å)
Cite:Mechanism of staphylococcal multiresistance plasmid replication origin assembly by the RepA protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
2LAS
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BU of 2las by Molmil
Molecular Determinants of Paralogue-Specific SUMO-SIM Recognition
Descriptor: M-IR2_peptide, Small ubiquitin-related modifier 1
Authors:Namanja, A, Li, Y, Su, Y, Wong, S, Lu, J, Colson, L, Wu, C, Li, S, Chen, Y.
Deposit date:2011-03-20
Release date:2011-12-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insights into High Affinity Small Ubiquitin-like Modifier (SUMO) Recognition by SUMO-interacting Motifs (SIMs) Revealed by a Combination of NMR and Peptide Array Analysis.
J.Biol.Chem., 287, 2012
5UR2
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BU of 5ur2 by Molmil
Crystal structure of proline utilization A (PutA) from Bdellovibrio bacteriovorus inactivated by N-propargylglycine
Descriptor: Bifunctional protein PutA, N-propargylglycine-modified flavin adenine dinucleotide
Authors:Tanner, J.J.
Deposit date:2017-02-09
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Biophysical investigation of type A PutAs reveals a conserved core oligomeric structure.
FEBS J., 284, 2017
5AND
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BU of 5and by Molmil
Crystal structure of CDK2 in complex with 2-imidazol-1-yl-1H- benzimidazole processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: 2-IMIDAZOL-1-YL-1H-BENZIMIDAZOLE, CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
5ANI
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BU of 5ani by Molmil
Crystal structure of CDK2 in complex with 6-chloro-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: 6-chloro-9H-purine, CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
5ANE
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BU of 5ane by Molmil
Crystal structure of CDK2 in complex with 6-methoxy-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: 6-METHOXY-9H-PURINE, CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
5VHD
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BU of 5vhd by Molmil
DHX36 with an N-terminal truncation bound to ADP-AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DEAH (Asp-Glu-Ala-His) box polypeptide 36, TETRAFLUOROALUMINATE ION
Authors:Chen, M, Ferre-D'Amare, A.
Deposit date:2017-04-13
Release date:2018-06-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
4PT7
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BU of 4pt7 by Molmil
Structure of initiator
Descriptor: Replication initiator A family protein, SULFATE ION
Authors:Schumacher, M.A.
Deposit date:2014-03-10
Release date:2014-06-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanism of staphylococcal multiresistance plasmid replication origin assembly by the RepA protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
5VHC
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BU of 5vhc by Molmil
DHX36 with an N-terminal truncation bound to ADP-BeF3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DEAH (Asp-Glu-Ala-His) box polypeptide 36, ...
Authors:Chen, M, Ferre-D'Amare, A.
Deposit date:2017-04-12
Release date:2018-06-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018

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