7CFW
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![BU of 7cfw by Molmil](/molmil-images/mine/7cfw) | Crystal structure of the receiver domain of sensor histidine kinase PA1611 (PA1611REC) from Pseudomonas aeruginosa PAO1 with calcium ion coordinated in the active site cleft | Descriptor: | CALCIUM ION, Histidine kinase | Authors: | Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J. | Deposit date: | 2020-06-29 | Release date: | 2020-11-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa Iucrj, 7, 2020
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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/3rtp) | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | Deposit date: | 2011-05-03 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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1YHB
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![BU of 1yhb by Molmil](/molmil-images/mine/1yhb) | CRYSTAL STRUCTURES OF Y41H AND Y41F MUTANTS OF GENE V PROTEIN FROM FF PHAGE SUGGEST POSSIBLE PROTEIN-PROTEIN INTERACTIONS IN GVP-SSDNA COMPLEX | Descriptor: | GENE V PROTEIN | Authors: | Guan, Y, Zhang, H, Konings, R.N.H, Hilbers, C.W, Terwilliger, T.C, Wang, A.H.-J. | Deposit date: | 1994-04-14 | Release date: | 1994-06-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of Y41H and Y41F mutants of gene V protein from Ff phage suggest possible protein-protein interactions in the GVP-ssDNA complex. Biochemistry, 33, 1994
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5GR9
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![BU of 5gr9 by Molmil](/molmil-images/mine/5gr9) | Crystal structure of PXY-TDIF/CLE41 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat receptor-like protein kinase TDR, TDIF/CLE41 | Authors: | Chai, J.J, Zhang, H.Q. | Deposit date: | 2016-08-08 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.767 Å) | Cite: | Crystal structure of PXY-TDIF complex reveals a conserved recognition mechanism among CLE peptide-receptor pairs Cell Res., 26, 2016
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5H4B
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![BU of 5h4b by Molmil](/molmil-images/mine/5h4b) | Crystal structure of Cbln4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-4 | Authors: | Zhong, C, Shen, J, Zhang, H, Ding, J. | Deposit date: | 2016-10-31 | Release date: | 2017-09-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions. Cell Rep, 20, 2017
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5ZMF
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![BU of 5zmf by Molmil](/molmil-images/mine/5zmf) | AMPPNP complex of C. reinhardtii ArsA1 | Descriptor: | ATPase ARSA1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Lin, T.W, Hsiao, C.D, Chang, H.Y. | Deposit date: | 2018-04-03 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.556 Å) | Cite: | Structural analysis of chloroplast tail-anchored membrane protein recognition by ArsA1. Plant J., 99, 2019
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4A07
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![BU of 4a07 by Molmil](/molmil-images/mine/4a07) | Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the PIF-Pocket | Descriptor: | (3S)-3-(4-CHLOROPHENYL)-4-(5,7-DICHLORO-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M. | Deposit date: | 2011-09-08 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket. Chem.Biol., 18, 2011
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4A06
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![BU of 4a06 by Molmil](/molmil-images/mine/4a06) | Human PDK1 Kinase Domain in Complex with Allosteric Activator PS114 Bound to the PIF-Pocket | Descriptor: | (3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M. | Deposit date: | 2011-09-08 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket. Chem.Biol., 18, 2011
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1YHA
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![BU of 1yha by Molmil](/molmil-images/mine/1yha) | CRYSTAL STRUCTURES OF Y41H AND Y41F MUTANTS OF GENE V PROTEIN FROM FF PHAGE SUGGEST POSSIBLE PROTEIN-PROTEIN INTERACTIONS IN GVP-SSDNA COMPLEX | Descriptor: | GENE V PROTEIN | Authors: | Guan, Y, Zhang, H, Konings, R.N.H, Hilbers, C.W, Terwilliger, T.C, Wang, A.H.-J. | Deposit date: | 1994-04-14 | Release date: | 1994-06-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of Y41H and Y41F mutants of gene V protein from Ff phage suggest possible protein-protein interactions in the GVP-ssDNA complex. Biochemistry, 33, 1994
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5ZME
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![BU of 5zme by Molmil](/molmil-images/mine/5zme) | |
7W41
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3ED0
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![BU of 3ed0 by Molmil](/molmil-images/mine/3ed0) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with emodin | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, BENZAMIDINE, ... | Authors: | Zhang, L, Zhang, H, Liu, W, Guo, Y, Shen, X, Jiang, H. | Deposit date: | 2008-09-02 | Release date: | 2009-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Emodin targets the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: enzymatic inhibition assay with crystal structural and thermodynamic characterization BMC MICROBIOL., 9, 2009
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3L8I
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![BU of 3l8i by Molmil](/molmil-images/mine/3l8i) | Crystal structure of CCM3, a cerebral cavernous malformation protein critical for vascular integrity | Descriptor: | Programmed cell death protein 10 | Authors: | Li, X, Zhang, R, Zhang, H, He, Y, Ji, W, Min, W, Boggon, T.J. | Deposit date: | 2009-12-31 | Release date: | 2010-05-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of CCM3, a cerebral cavernous malformation protein critical for vascular integrity. J.Biol.Chem., 285, 2010
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5HNU
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![BU of 5hnu by Molmil](/molmil-images/mine/5hnu) | Crystal Structure of AKR1C3 complexed with octyl gallate | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, octyl 3,4,5-trihydroxybenzoate | Authors: | Li, C, Zhao, Y, Zhang, H, Hu, X. | Deposit date: | 2016-01-18 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of AKR1C3 complexed with octyl gallte To Be Published
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4BX4
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![BU of 4bx4 by Molmil](/molmil-images/mine/4bx4) | Fitting of the bacteriophage Phi8 P1 capsid protein into cryo-EM density | Descriptor: | P1 | Authors: | El Omari, K, Sutton, G, Ravantti, J.J, Zhang, H, Walter, T.S, Grimes, J.M, Bamford, D.H, Stuart, D.I, Mancini, E.J. | Deposit date: | 2013-07-08 | Release date: | 2013-08-07 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.7 Å) | Cite: | Plate Tectonics of Virus Shell Assembly and Reorganization in Phage Phi8, a Distant Relative of Mammalian Reoviruses Structure, 21, 2013
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1VYU
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![BU of 1vyu by Molmil](/molmil-images/mine/1vyu) | Beta3 subunit of Voltage-gated Ca2+-channel | Descriptor: | CALCIUM CHANNEL BETA-3 SUBUNIT | Authors: | Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Liang, T, Yang, J. | Deposit date: | 2004-05-07 | Release date: | 2004-06-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels Nature, 429, 2004
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4XTR
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![BU of 4xtr by Molmil](/molmil-images/mine/4xtr) | Structure of Get3 bound to the transmembrane domain of Pep12 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase GET3, ... | Authors: | Mateja, A, Paduch, M, Chang, H.-Y, Szydlowska, A, Kossiakoff, A.A, Hegde, R.S, Keenan, R.J. | Deposit date: | 2015-01-23 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Protein targeting. Structure of the Get3 targeting factor in complex with its membrane protein cargo. Science, 347, 2015
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5EQN
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![BU of 5eqn by Molmil](/molmil-images/mine/5eqn) | Structure of phosphonate hydroxylase | Descriptor: | FrbJ, MAGNESIUM ION | Authors: | Li, C, Hu, Y, Zhang, H. | Deposit date: | 2015-11-13 | Release date: | 2016-05-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of a phosphonate hydroxylase with an access tunnel at the back of the active site. Acta Crystallogr.,Sect.F, 72, 2016
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8JR9
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![BU of 8jr9 by Molmil](/molmil-images/mine/8jr9) | Small molecule agonist (PCO371) bound to human parathyroid hormone receptor type 1 (PTH1R) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha-1, ... | Authors: | Zhao, L, He, Q, Yuan, Q, Gu, Y, He, X, Shan, H, Li, J, Wang, K, Li, Y, Hu, W, Wu, K, Shen, J, Xu, H.E. | Deposit date: | 2023-06-16 | Release date: | 2023-08-02 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Conserved class B GPCR activation by a biased intracellular agonist. Nature, 621, 2023
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6JC5
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5YIR
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![BU of 5yir by Molmil](/molmil-images/mine/5yir) | Crystal Structure of AnkB LIR/GABARAP complex | Descriptor: | Ankyrin-2, Gamma-aminobutyric acid receptor-associated protein, NICKEL (II) ION | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
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8RHL
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![BU of 8rhl by Molmil](/molmil-images/mine/8rhl) | Yeast 20S proteasome in complex with a linear biarylether epoxyketone (compound 15a) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear biarylether epoxyketone, ... | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | Deposit date: | 2023-12-15 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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8RHJ
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![BU of 8rhj by Molmil](/molmil-images/mine/8rhj) | Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5) | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ... | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | Deposit date: | 2023-12-15 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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6JC6
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8RHK
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![BU of 8rhk by Molmil](/molmil-images/mine/8rhk) | Yeast 20S proteasome in complex with a linear oxindole epoxyketone (compound 6) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear oxindole epoxyketone, ... | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | Deposit date: | 2023-12-15 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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