2LGG
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![BU of 2lgg by Molmil](/molmil-images/mine/2lgg) | Structure of PHD domain of UHRF1 in complex with H3 peptide | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide | Authors: | Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C. | Deposit date: | 2011-07-26 | Release date: | 2011-09-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger. Cell Res., 21, 2011
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8B4I
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![BU of 8b4i by Molmil](/molmil-images/mine/8b4i) | Cryo-EM structure of the Neurospora crassa TOM core complex at 3.3 angstrom | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, DIUNDECYL PHOSPHATIDYL CHOLINE, Mitochondrial import receptor subunit Tom22, ... | Authors: | Ornelas, P, Kuehlbrandt, W. | Deposit date: | 2022-09-20 | Release date: | 2023-08-09 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Two conformations of the Tom20 preprotein receptor in the TOM holo complex. Proc.Natl.Acad.Sci.USA, 120, 2023
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6ZGX
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![BU of 6zgx by Molmil](/molmil-images/mine/6zgx) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGY
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![BU of 6zgy by Molmil](/molmil-images/mine/6zgy) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGW
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![BU of 6zgw by Molmil](/molmil-images/mine/6zgw) | Structure of human galactokinase 1 bound with (4-chlorophenyl)methyl pyridine-3-carboxylate | Descriptor: | (4-chlorophenyl)methyl pyridine-3-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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1NB8
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![BU of 1nb8 by Molmil](/molmil-images/mine/1nb8) | Structure of the catalytic domain of USP7 (HAUSP) | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Hu, M, Li, P, Li, M, Li, W, Yao, T, Wu, J.-W, Gu, W, Cohen, R.E, Shi, Y. | Deposit date: | 2002-12-02 | Release date: | 2003-01-07 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a UBP-family deubiquitinating enzyme in isolation and in complex with ubiquitin aldehyde Cell(Cambridge,Mass.), 111, 2002
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7RML
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![BU of 7rml by Molmil](/molmil-images/mine/7rml) | Neisseria meningitidis Methylenetetrahydrofolate reductase in complex with FAD | Descriptor: | 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Pederick, J.L, Wegener, K.L, Salaemae, W, Bruning, J.B. | Deposit date: | 2021-07-27 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Biochemical and structural characterization of meningococcal methylenetetrahydrofolate reductase. Protein Sci., 32, 2023
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6ZGV
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![BU of 6zgv by Molmil](/molmil-images/mine/6zgv) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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1NBF
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![BU of 1nbf by Molmil](/molmil-images/mine/1nbf) | Crystal structure of a UBP-family deubiquitinating enzyme in isolation and in complex with ubiquitin aldehyde | Descriptor: | Ubiquitin aldehyde, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Hu, M, Li, P, Li, M, Li, W, Yao, T, Wu, J.-W, Gu, W, Cohen, R.E, Shi, Y. | Deposit date: | 2002-12-02 | Release date: | 2003-01-07 | Last modified: | 2018-10-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a UBP-family deubiquitinating enzyme in isolation and in complex with ubiquitin aldehyde Cell(Cambridge,Mass.), 111, 2002
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1NEM
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![BU of 1nem by Molmil](/molmil-images/mine/1nem) | Saccharide-RNA recognition in the neomycin B / RNA aptamer complex | Descriptor: | 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose, 2,6-diamino-2,6-dideoxy-beta-L-idopyranose-(1-3)-beta-D-ribofuranose, 2-DEOXY-D-STREPTAMINE, ... | Authors: | Jiang, L, Majumdar, A, Hu, W, Jaishree, T.J, Xu, W, Patel, D.J. | Deposit date: | 1999-03-15 | Release date: | 1999-08-31 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Saccharide-RNA recognition in a complex formed between neomycin B and an RNA aptamer Structure Fold.Des., 7, 1999
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5HYX
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![BU of 5hyx by Molmil](/molmil-images/mine/5hyx) | Plant peptide hormone receptor RGFR1 in complex with RGF1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PTR-SER-ASN-PRO-GLY-HIS-HIS-PRO-HYP-ARG-HIS-ASN, ... | Authors: | Song, W, Han, Z, Chai, J. | Deposit date: | 2016-02-02 | Release date: | 2017-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.596 Å) | Cite: | Signature motif-guided identification of receptors for peptide hormones essential for root meristem growth Cell Res., 26, 2016
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6UJV
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![BU of 6ujv by Molmil](/molmil-images/mine/6ujv) | Model of the HIV-1 gp41 membrane-proximal external region, transmembrane domain and cytoplasmic tail (LLP2) | Descriptor: | Envelope glycoprotein GP41 | Authors: | Piai, A, Fu, Q, Cai, Y, Ghantous, F, Xiao, T, Shaik, M.M, Peng, H, Rits-Volloch, S, Liu, Z, Chen, W, Seaman, M.S, Chen, B, Chou, J.J. | Deposit date: | 2019-10-03 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis of transmembrane coupling of the HIV-1 envelope glycoprotein. Nat Commun, 11, 2020
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1ONJ
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![BU of 1onj by Molmil](/molmil-images/mine/1onj) | Crystal structure of Atratoxin-b from Chinese cobra venom of Naja atra | Descriptor: | Cobrotoxin b, SULFATE ION | Authors: | Lou, X, Tu, X, Pan, G, Xu, C, Fan, R, Lu, W, Deng, W, Rao, P, Teng, M, Niu, L. | Deposit date: | 2003-02-28 | Release date: | 2004-02-28 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.555 Å) | Cite: | Purification, N-terminal sequencing, crystallization and preliminary structural determination of atratoxin-b, a short-chain alpha-neurotoxin from Naja atra venom. Acta Crystallogr.,Sect.D, 59, 2003
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7S4E
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![BU of 7s4e by Molmil](/molmil-images/mine/7s4e) | |
5IQ7
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![BU of 5iq7 by Molmil](/molmil-images/mine/5iq7) | Crystal structure of 10E8-S74W Fab in complex with an HIV-1 gp41 peptide. | Descriptor: | 10E8-S74W Heavy Chain, 10E8-S74W Light Chain, gp41 MPER peptide | Authors: | Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D. | Deposit date: | 2016-03-10 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2869 Å) | Cite: | Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design. J.Virol., 90, 2016
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7SG8
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![BU of 7sg8 by Molmil](/molmil-images/mine/7sg8) | [T-T] DNA mismatch in a self-assembling rhombohedral lattice | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Vecchioni, S, Lu, B, Bernfeld, W, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-05 | Release date: | 2022-10-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.71 Å) | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 2023
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7SGA
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![BU of 7sga by Molmil](/molmil-images/mine/7sga) | [C-S] DNA mismatch in a self-assembling rhombohedral lattice | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(IMC)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Vecchioni, S, Lu, B, Bernfeld, W, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-10-05 | Release date: | 2022-10-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 2023
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5IJ7
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![BU of 5ij7 by Molmil](/molmil-images/mine/5ij7) | Structure of Hs/AcPRC2 in complex with a pyridone inhibitor | Descriptor: | 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W. | Deposit date: | 2016-03-01 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance. Nat Commun, 7, 2016
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5IME
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![BU of 5ime by Molmil](/molmil-images/mine/5ime) | Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | Descriptor: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | Authors: | Li, D, Wang, W. | Deposit date: | 2016-03-06 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.217 Å) | Cite: | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J.Med.Chem., 59, 2016
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3MEF
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![BU of 3mef by Molmil](/molmil-images/mine/3mef) | |
6V9T
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![BU of 6v9t by Molmil](/molmil-images/mine/6v9t) | Tudor domain of TDRD3 in complex with a small molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Tudor domain-containing protein 3, UNKNOWN ATOM OR ION | Authors: | Li, W, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-16 | Release date: | 2019-12-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.154 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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7T4J
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![BU of 7t4j by Molmil](/molmil-images/mine/7t4j) | Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ... | Authors: | Skene, R.J, Lane, W, Hu, Y. | Deposit date: | 2021-12-10 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer. Bioorg.Med.Chem.Lett., 80, 2022
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7T4I
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![BU of 7t4i by Molmil](/molmil-images/mine/7t4i) | Crystal Structure of wild type EGFR in complex with TAK-788 | Descriptor: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Skene, R.J, Lane, W. | Deposit date: | 2021-12-10 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer. Bioorg.Med.Chem.Lett., 80, 2022
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5I3L
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![BU of 5i3l by Molmil](/molmil-images/mine/5i3l) | DPF3b in complex with H3K14ac peptide | Descriptor: | 1,2-ETHANEDIOL, H3K14ac peptide, SODIUM ION, ... | Authors: | Tempel, W, Liu, Y, Walker, J.R, Zhao, A, Qin, S, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-02-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of DPF3b in complex with an acetylated histone peptide. J.Struct.Biol., 195, 2016
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5IJ8
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![BU of 5ij8 by Molmil](/molmil-images/mine/5ij8) | Structure of the primary oncogenic mutant Y641N Hs/AcPRC2 in complex with a pyridone inhibitor | Descriptor: | 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W. | Deposit date: | 2016-03-01 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance. Nat Commun, 7, 2016
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