4PZI
 
 | | Zinc finger region of MLL2 in complex with CpG DNA | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Histone-lysine N-methyltransferase 2B, UNKNOWN ATOM OR ION, ... | | Authors: | Chao, X, Tempel, W, Liu, K, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-03-31 | | Release date: | 2014-06-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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5SG9
 | | Crystal Structure of human phosphodiesterase 10 in complex with 2-[(E)-2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)ethenyl]quinoline | | Descriptor: | 2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Neidhart, W, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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2MCY
 | | CR1 Sushi domains 2 and 3 | | Descriptor: | Complement receptor type 1 | | Authors: | Park, H.J, Guariento, M.J, Maciejewski, M, Hauart, R, Tham, W, Cowman, A.F, Schmidt, C.Q, Martens, H, Liszewski, K.M, Hourcade, D, Barlow, P.N, Atkinson, J.P. | | Deposit date: | 2013-08-27 | | Release date: | 2013-11-13 | | Last modified: | 2014-01-22 | | Method: | SOLUTION NMR | | Cite: | Using Mutagenesis and Structural Biology to Map the Binding Site for the Plasmodium falciparum Merozoite Protein PfRh4 on the Human Immune Adherence Receptor.
J.Biol.Chem., 289, 2014
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5SGE
 | | Crystal Structure of human phosphodiesterase 10 in complex with 6H-imidazo[1,2-c]quinazolin-5-one | | Descriptor: | (4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Hunkeler, W, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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6LS5
 | | Structure of human liver FBPase complexed with covalent allosteric inhibitor | | Descriptor: | 2-(ethyldisulfanyl)-1,3-benzothiazole, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Yunyuan, H, Rongrong, S, Yixiang, X, Shuaishuai, N, Yanliang, R, Jian, L, Jian, W. | | Deposit date: | 2020-01-17 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.031 Å) | | Cite: | Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction.
J.Med.Chem., 63, 2020
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6ABH
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2ME3
 | | HIV-1 gp41 clade C Membrane Proximal External Region peptide in DPC micelle | | Descriptor: | Envelope glycoprotein gp160 | | Authors: | Sun, Z.J, Wagner, G, Reinherz, E.L, Kim, M, Song, L, Choi, J, Cheng, Y, Chowdhury, B, Bellot, G, Shih, W. | | Deposit date: | 2013-09-20 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Disruption of Helix-Capping Residues 671 and 674 Reveals a Role in HIV-1 Entry for a Specialized Hinge Segment of the Membrane Proximal External Region of gp41.
J.Mol.Biol., 426, 2014
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2M2R
 | | Solution structure of MCh-2: A novel inhibitor cystine knot peptide from Momordica charantia | | Descriptor: | Inhibitor cystine knot peptide MCh-2 | | Authors: | He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N. | | Deposit date: | 2013-01-01 | | Release date: | 2013-11-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Novel Inhibitor Cystine Knot Peptides from Momordica charantia.
Plos One, 8, 2013
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6AIC
 | | Crystal structures of the N-terminal domain of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, DEAD-box ATP-dependent RNA helicase CshA | | Authors: | Tian, T, Chengliang, W, Xiaobao, C, Xuan, Z, Jianye, Z. | | Deposit date: | 2018-08-22 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
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4PVE
 | | Wild-type Phl p 4.0202, a glucose dehydrogenase | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, ... | | Authors: | Zafred, D, Teufelberger, A, Keller, W, Macheroux, P. | | Deposit date: | 2014-03-17 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
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5SY2
 | | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide, ... | | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | | Deposit date: | 2016-08-10 | | Release date: | 2016-11-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors.
Bioorg.Med.Chem., 24, 2016
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2MCZ
 | | CR1 Sushi domains 1 and 2 | | Descriptor: | Complement receptor type 1 | | Authors: | Park, H.J, Guariento, M.J, Maciejewski, M, Hauart, R, Tham, W, Cowman, A.F, Schmidt, C.Q, Martens, H, Liszewski, K.M, Hourcade, D, Barlow, P.N, Atkinson, J.P. | | Deposit date: | 2013-08-27 | | Release date: | 2013-11-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Using Mutagenesis and Structural Biology to Map the Binding Site for the Plasmodium falciparum Merozoite Protein PfRh4 on the Human Immune Adherence Receptor.
J.Biol.Chem., 289, 2014
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5TEF
 | | Crystal structure of Gemin5 WD40 repeats in complex with m7GpppG | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, GLYCEROL, Gem-associated protein 5, ... | | Authors: | Chao, X, Tempel, W, Bian, C, He, H, Cerovina, T, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-21 | | Release date: | 2016-10-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
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6AU2
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-30 | | Release date: | 2017-10-11 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
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2LY0
 | | Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332 | | Descriptor: | (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium, Membrane ion channel M2 | | Authors: | Wu, Y, Wang, J, DeGrado, W. | | Deposit date: | 2012-09-10 | | Release date: | 2013-01-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6M02
 | | cryo-EM structure of human Pannexin 1 channel | | Descriptor: | Pannexin-1 | | Authors: | Ronggui, Q, Lili, D, Jilin, Z, Xuekui, Y, Lei, W, Shujia, Z. | | Deposit date: | 2020-02-19 | | Release date: | 2020-03-25 | | Last modified: | 2020-05-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of human heptameric Pannexin 1 channel.
Cell Res., 30, 2020
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2M2T
 | | ASFV Pol X structure | | Descriptor: | Repair DNA polymerase X | | Authors: | Wu, W, Su, M, Tsai, M. | | Deposit date: | 2013-01-03 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | How a low-fidelity DNA polymerase chooses non-Watson-Crick from Watson-Crick incorporation.
J.Am.Chem.Soc., 136, 2014
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6ASB
 | | CXXC and PHD-type zinc finger regions of FBXL19 in complex with DNA | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), F-box/LRR-repeat protein 19, ZINC ION | | Authors: | Liu, K, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-24 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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2MUV
 | | NOE-based model of the influenza A virus M2 (19-49) bound to drug 11 | | Descriptor: | (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2 | | Authors: | Wu, Y, Wang, J, DeGrado, W. | | Deposit date: | 2014-09-18 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.
J.Am.Chem.Soc., 136, 2014
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6M95
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | | Descriptor: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | | Authors: | Lane, W, Okada, K. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
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5TTG
 | | Crystal structure of catalytic domain of GLP with MS012 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-11-03 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
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2MPV
 | | Structural insight into host recognition and biofilm formation by aggregative adherence fimbriae of enteroaggregative Esherichia coli | | Descriptor: | Major fimbrial subunit of aggregative adherence fimbria II AafA | | Authors: | Matthews, S.J, Yang, Y, Berry, A.A, Pakharukova, N, Garnett, J.A, Lee, W, Cota, E, Liu, B, Roy, S, Tuittila, M, Marchant, J, Inman, K.G, Ruiz-Perez, F, Mandomando, I, Nataro, J.P, Zavialov, A.V. | | Deposit date: | 2014-06-04 | | Release date: | 2014-10-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
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4QQG
 | | Crystal structure of an N-terminal HTATIP fragment | | Descriptor: | Histone acetyltransferase KAT5, UNKNOWN ATOM OR ION | | Authors: | Liu, Y, Tempel, W, Wernimont, A.K, Dobrovetsky, E, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-27 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and histone binding studies of the chromo barrel domain of TIP60.
FEBS Lett., 592, 2018
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4RCM
 | | Crystal structure of the Pho92 YTH domain in complex with m6A | | Descriptor: | Methylated RNA-binding protein 1, RNA (5'-R(*UP*G)-D(*(6MZ)P*CP*U)-3'), UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Xu, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-09-16 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for the Discriminative Recognition of N6-Methyladenosine RNA by the Human YT521-B Homology Domain Family of Proteins.
J.Biol.Chem., 290, 2015
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5SXN
 | | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | | Deposit date: | 2016-08-09 | | Release date: | 2016-11-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors.
Bioorg.Med.Chem., 24, 2016
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