5M4G
 
 | | Crystal Structure of Wild-Type Human Prolidase with Mn ions | | Descriptor: | GLYCEROL, HYDROXIDE ION, MANGANESE (II) ION, ... | | Authors: | Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H. | | Deposit date: | 2016-10-18 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Substrate specificity and reaction mechanism of human prolidase.
FEBS J., 284, 2017
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7ZWG
 | | The Crystal structure of RO4493940 bound to CK2alpha | | Descriptor: | (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2022-05-19 | | Release date: | 2023-05-31 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
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7ZKD
 | | The NMR structure of the MAX47 effector from Magnaporthe Oryzae | | Descriptor: | MAX effector protein | | Authors: | Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P. | | Deposit date: | 2022-04-12 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-08 | | Method: | SOLUTION NMR | | Cite: | 1 H, 13 C, 15 N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae.
Biomol.Nmr Assign., 16, 2022
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7ZWE
 | | The Crystal structure of GW8695 bound to CK2alpha | | Descriptor: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2022-05-19 | | Release date: | 2023-05-31 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
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3J40
 | | Validated Near-Atomic Resolution Structure of Bacteriophage Epsilon15 Derived from Cryo-EM and Modeling | | Descriptor: | gp10, gp7 | | Authors: | Baker, M.L, Hryc, C.F, Zhang, Q, Wu, W, Jakana, J, Haase-Pettingell, C, Afonine, P.V, Adams, P.D, King, J.A, Jiang, W, Chiu, W. | | Deposit date: | 2013-05-30 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Validated near-atomic resolution structure of bacteriophage epsilon15 derived from cryo-EM and modeling.
Proc.Natl.Acad.Sci.USA, 110, 2013
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7B3P
 | | Notum complex with ARUK3003775 | | Descriptor: | 1,2-ETHANEDIOL, 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | | Deposit date: | 2020-12-01 | | Release date: | 2021-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
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6PHS
 | | Protein Tyrosine Phosphatase 1B (1-301), P185A mutant, vanadate bound state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-25 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.129 Å) | | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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7B2G
 | | Crystal structure of R120Q GDAP1 mutant | | Descriptor: | GLYCEROL, Ganglioside-induced differentiation-associated protein 1 | | Authors: | Nguyen, G.T.T, Sutinen, A, Kursula, P. | | Deposit date: | 2020-11-26 | | Release date: | 2021-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Conserved intramolecular networks in GDAP1 are closely connected to CMT-linked mutations and protein stability.
Plos One, 18, 2023
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7B3X
 | | Notum complex with ARUK3003748 | | Descriptor: | 6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Fish, P, Jones, E.Y. | | Deposit date: | 2020-12-01 | | Release date: | 2021-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
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3J7L
 | | Full virus map of brome mosaic virus | | Descriptor: | Capsid protein | | Authors: | Wang, Z, Hryc, C, Bammes, B, Afonine, P.V, Jakana, J, Chen, D.H, Liu, X, Baker, M.L, Kao, C, Ludtke, S.J, Schmid, M.F, Adams, P.D, Chiu, W. | | Deposit date: | 2014-07-18 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | An atomic model of brome mosaic virus using direct electron detection and real-space optimization.
Nat Commun, 5, 2014
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3J7N
 | | Virus model of brome mosaic virus (second half data set) | | Descriptor: | Capsid protein | | Authors: | Wang, Z, Hryc, C, Bammes, B, Afonine, P.V, Jakana, J, Chen, D.H, Liu, X, Baker, M.L, Kao, C, Ludtke, S.J, Schmid, M.F, Adams, P.D, Chiu, W. | | Deposit date: | 2014-07-18 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | An atomic model of brome mosaic virus using direct electron detection and real-space optimization.
Nat Commun, 5, 2014
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6VPD
 | | Crystal structure of Trgpx in apo form | | Descriptor: | Glutathione peroxidase | | Authors: | Adriani, P.P, De Oliveira, G.S, Paiva, F.C.R, Dias, M.V.B, Chambergo, F.S. | | Deposit date: | 2020-02-03 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Structural and functional characterization of the glutathione peroxidase-like thioredoxin peroxidase from the fungus Trichoderma reesei.
Int.J.Biol.Macromol., 167, 2020
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4C2M
 | | Structure of RNA polymerase I at 2.8 A resolution | | Descriptor: | DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA12, DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA135, DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA14, ... | | Authors: | Engel, C, Sainsbury, S, Cheung, A.C, Kostrewa, D, Cramer, P. | | Deposit date: | 2013-08-19 | | Release date: | 2013-10-23 | | Last modified: | 2015-08-19 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | RNA Polymerase I Structure and Transcription Regulation.
Nature, 502, 2013
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6B36
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6PFW
 | | Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, apo state | | Descriptor: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-22 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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4XX6
 | | Crystal structure of a glycosylated endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Gloeophyllum trabeum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ... | | Authors: | Stogios, P.J, Nocek, B, Xu, X, Cui, H, Lowden, M, Savchenko, A. | | Deposit date: | 2015-01-29 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of a glycosylated endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Gloeophyllum trabeum.
To Be Published
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6B3C
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5J5G
 | | X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine, Acetylcholine-binding protein, ... | | Authors: | Kaczanowska, K, Harel, M, Camacho Hernandez, A.G, Taylor, P. | | Deposit date: | 2016-04-02 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.036 Å) | | Cite: | Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
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5M3N
 | | HTRA2 wild-type structure | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Serine protease HTRA2, mitochondrial | | Authors: | Merski, M, Pereira, P.J.B, Macedo-Ribeiro, S. | | Deposit date: | 2016-10-15 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2.
Cell Death Dis, 8, 2017
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8HYK
 | | CD-NTase EfCdnE in complex with intermediate pppU[2'-5']p | | Descriptor: | EfCdnE, MAGNESIUM ION, [[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Authors: | Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.021 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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8VCI
 | | SARS-CoV-2 Frameshift Stimulatory Element with Upstream Multibranch Loop | | Descriptor: | Frameshift Stimulatory Element with Upstream Multi-branch Loop | | Authors: | Peterson, J.M, Becker, S.T, O'Leary, C.A, Juneja, P, Yang, Y, Moss, W.N. | | Deposit date: | 2023-12-14 | | Release date: | 2024-01-17 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structure of the SARS-CoV-2 Frameshift Stimulatory Element with an Upstream Multibranch Loop.
Biochemistry, 63, 2024
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6ZYO
 | | Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine D-syn-1b | | Descriptor: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-08-02 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
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6PPX
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3WQN
 | | Crystal structure of Rv3378c_Y51F with TPP | | Descriptor: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2014-01-28 | | Release date: | 2014-02-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
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6B9B
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