4Y9P
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![BU of 4y9p by Molmil](/molmil-images/mine/4y9p) | PA3825-EAL Ca-CdG Structure | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, PA3825-EAL | Authors: | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site To Be Published
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4YEY
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![BU of 4yey by Molmil](/molmil-images/mine/4yey) | HUaa-20bp | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-24 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.354 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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1G7F
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![BU of 1g7f by Molmil](/molmil-images/mine/1g7f) | HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH PNU177496 | Descriptor: | 2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | Authors: | Bleasdale, J.E, Ogg, D, Larsen, S.D. | Deposit date: | 2000-11-10 | Release date: | 2001-06-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Small molecule peptidomimetics containing a novel phosphotyrosine bioisostere inhibit protein tyrosine phosphatase 1B and augment insulin action. Biochemistry, 40, 2001
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4YFH
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![BU of 4yfh by Molmil](/molmil-images/mine/4yfh) | HU38-20bp | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-25 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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6PVB
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![BU of 6pvb by Molmil](/molmil-images/mine/6pvb) | The structure of NTMT1 in complex with compound 6 | Descriptor: | AMINO GROUP-()-(2~{S})-2-azanylpropanal-()-ISOLEUCINE-()-ARGININE-()-LYSINE-()-PROLINE-()-AMINO-ACETALDEHYDE-()-9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Noinaj, N, Chen, D, Huang, R. | Deposit date: | 2019-07-20 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues. J.Med.Chem., 63, 2020
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8FG6
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![BU of 8fg6 by Molmil](/molmil-images/mine/8fg6) | |
8FAI
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![BU of 8fai by Molmil](/molmil-images/mine/8fai) | Cryo-EM structure of the Agrobacterium T-pilus | Descriptor: | (7Z,19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacos-7-en-19-yl (9Z)-octadec-9-enoate, Protein virB2 | Authors: | Kreida, S, Narita, A, Johnson, M.D, Tocheva, E.I, Das, A, Jensen, G.J, Ghosal, D. | Deposit date: | 2022-11-27 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of the Agrobacterium tumefaciens T4SS-associated T-pilus reveals stoichiometric protein-phospholipid assembly. Structure, 31, 2023
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4YLW
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![BU of 4ylw by Molmil](/molmil-images/mine/4ylw) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wu, D, Ouyang, P, Lu, W, Huang, J. | Deposit date: | 2015-03-06 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound To Be Published
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6Q26
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![BU of 6q26 by Molmil](/molmil-images/mine/6q26) | |
4YSY
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![BU of 4ysy by Molmil](/molmil-images/mine/4ysy) | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide | Descriptor: | Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | Deposit date: | 2015-03-17 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria Int J Mol Sci, 16, 2015
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6Q7K
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![BU of 6q7k by Molmil](/molmil-images/mine/6q7k) | ERK2 mini-fragment binding | Descriptor: | 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-13 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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8DGA
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![BU of 8dga by Molmil](/molmil-images/mine/8dga) | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex IV | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B, ... | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | Deposit date: | 2022-06-23 | Release date: | 2022-11-16 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB. Mol.Cell, 82, 2022
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6ZN6
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![BU of 6zn6 by Molmil](/molmil-images/mine/6zn6) | Protein polybromo-1 (PB1 BD2) Bound To MW278 | Descriptor: | 1,2-ETHANEDIOL, 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol, Protein polybromo-1 | Authors: | Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. | Deposit date: | 2020-07-06 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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8F9O
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![BU of 8f9o by Molmil](/molmil-images/mine/8f9o) | Dog sialic acid esterase (SIAE) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sialic acid acetylesterase, ... | Authors: | Ide, D, Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2022-11-24 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Dog sialic acid esterase (SIAE) To Be Published
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8F9Q
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![BU of 8f9q by Molmil](/molmil-images/mine/8f9q) | Guinea pig sialic acid esterase (SIAE) | Descriptor: | Sialic acid acetylesterase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ide, D, Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2022-11-24 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Guinea pig sialic acid esterase (SIAE) To Be Published
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8F9P
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![BU of 8f9p by Molmil](/molmil-images/mine/8f9p) | Dog sialic acid esterase (SIAE) inactive mutant S128A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Ide, D, Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2022-11-24 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Dog sialic acid esterase (SIAE) inactive mutant S128A To Be Published
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8F9R
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![BU of 8f9r by Molmil](/molmil-images/mine/8f9r) | Rabbit sialic acid esterase (SIAE) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sialic acid acetylesterase, ... | Authors: | Ide, D, Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2022-11-24 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Rabbit sialic acid esterase (SIAE) To Be Published
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8DFV
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![BU of 8dfv by Molmil](/molmil-images/mine/8dfv) | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex IIa | Descriptor: | CALCIUM ION, Endoribonuclease Dcr-1, Loquacious, ... | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | Deposit date: | 2022-06-22 | Release date: | 2022-11-16 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB. Mol.Cell, 82, 2022
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1G0V
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![BU of 1g0v by Molmil](/molmil-images/mine/1g0v) | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT, MVV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEASE A INHIBITOR 3, PROTEINASE A, ... | Authors: | Phylip, L.H, Lees, W, Brownsey, B.G, Bur, D, Dunn, B.M, Winther, J, Gustchina, A, Li, M, Copeland, T, Wlodawer, A, Kay, J. | Deposit date: | 2000-10-09 | Release date: | 2001-04-21 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The potency and specificity of the interaction between the IA3 inhibitor and its target aspartic proteinase from Saccharomyces cerevisiae. J.Biol.Chem., 276, 2001
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8FUT
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![BU of 8fut by Molmil](/molmil-images/mine/8fut) | |
4YVA
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![BU of 4yva by Molmil](/molmil-images/mine/4yva) | Cathepsin K co-crystallized with actinomycetes extract | Descriptor: | Cathepsin K, SULFATE ION | Authors: | Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. | Deposit date: | 2015-03-19 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts. J.Nat.Prod., 79, 2016
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1G1H
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![BU of 1g1h by Molmil](/molmil-images/mine/1g1h) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH A BIS-PHOSPHORYLATED PEPTIDE (ETD(PTR)(PTR)RKGGKGLL) FROM THE INSULIN RECEPTOR KINASE | Descriptor: | BI-PHOSPHORYLATED PEPTIDE FROM THE INSULIN RECEPTOR KINASE, PROTEIN TYROSINE PHOSPHATASE 1B | Authors: | Salmeen, A, Andersen, J.N, Myers, M.P, Tonks, N.K, Barford, D. | Deposit date: | 2000-10-11 | Release date: | 2001-01-17 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for the dephosphorylation of the activation segment of the insulin receptor by protein tyrosine phosphatase 1B. Mol.Cell, 6, 2000
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4WZP
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![BU of 4wzp by Molmil](/molmil-images/mine/4wzp) | Ser65 phosphorylated ubiquitin, major conformation | Descriptor: | SULFATE ION, ubiquitin | Authors: | Wauer, T, Wagstaff, J, Freund, S.M.V, Komander, D. | Deposit date: | 2014-11-20 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ubiquitin Ser65 phosphorylation affects ubiquitin structure, chain assembly and hydrolysis. Embo J., 34, 2015
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6OTC
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![BU of 6otc by Molmil](/molmil-images/mine/6otc) | Synthetic Fab bound to Marburg virus VP35 interferon inhibitory domain | Descriptor: | CHLORIDE ION, GLYCEROL, Polymerase cofactor VP35, ... | Authors: | Amatya, P, Chen, G, Borek, D, Sidhu, S.S, Leung, D.W. | Deposit date: | 2019-05-02 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of Marburg Virus RNA Synthesis by a Synthetic Anti-VP35 Antibody. Acs Infect Dis., 5, 2019
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1G2N
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![BU of 1g2n by Molmil](/molmil-images/mine/1g2n) | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF THE ULTRASPIRACLE PROTEIN USP, THE ORTHOLOG OF RXRS IN INSECTS | Descriptor: | L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ULTRASPIRACLE PROTEIN | Authors: | Billas, I.M.L, Moulinier, L, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2000-10-20 | Release date: | 2001-04-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the ligand-binding domain of the ultraspiracle protein USP, the ortholog of retinoid X receptors in insects. J.Biol.Chem., 276, 2001
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