5G5I
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![BU of 5g5i by Molmil](/molmil-images/mine/5g5i) | S. enterica HisA mutant D10G | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-05-25 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3L84
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![BU of 3l84 by Molmil](/molmil-images/mine/3l84) | High resolution crystal structure of transketolase from Campylobacter jejuni subsp. jejuni NCTC 11168 | Descriptor: | ACETATE ION, GLYCEROL, Transketolase | Authors: | Nocek, B, Makowska-Grzyska, M, Maltseva, N, Grimshaw, S, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-12-29 | Release date: | 2010-02-09 | Last modified: | 2012-02-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | High resolution crystal structure of transketolase from Campylobacter jejuni subsp. jejuni NCTC 11168 To be Published
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5G1T
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![BU of 5g1t by Molmil](/molmil-images/mine/5g1t) | S. enterica HisA mutant dup13-15, D10G | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-03-30 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5G2I
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![BU of 5g2i by Molmil](/molmil-images/mine/5g2i) | S. enterica HisA mutant Dup13-15(VVR) | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, PHOSPHATE ION, SODIUM ION | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-04-08 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2LW3
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![BU of 2lw3 by Molmil](/molmil-images/mine/2lw3) | Solution structure of the soluble domain of MmpS4 from Mycobacterium tuberculosis | Descriptor: | Putative membrane protein mmpS4 | Authors: | Xi, Z, Sun, P, Wang, W, Lai, C, Wu, F, Tian, C. | Deposit date: | 2012-07-19 | Release date: | 2013-03-13 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Discovery of a Siderophore Export System Essential for Virulence of Mycobacterium tuberculosis Plos Pathog., 9, 2013
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2LWG
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2LWH
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![BU of 2lwh by Molmil](/molmil-images/mine/2lwh) | NMR Structure of the Self-Complementary 10 mer DNA Duplex 5'-GGATATATCC-3' in Complex with Netropsin | Descriptor: | DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3'), NETROPSIN | Authors: | Rettig, M, Germann, M.W, Wilson, W, Wang, S. | Deposit date: | 2012-07-31 | Release date: | 2013-01-23 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Molecular basis for sequence-dependent induced DNA bending. Chembiochem, 14, 2013
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6DRU
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![BU of 6dru by Molmil](/molmil-images/mine/6dru) | Xylosidase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Glycosyl hydrolases family 31 family protein, ... | Authors: | Cao, H, Xu, W, Betancourt, M, Walton, J.D, Brumm, P, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2018-06-13 | Release date: | 2018-08-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of alpha-Xylosidase fromAspergillus nigerin Complex with a Hydrolyzed Xyloglucan Product and New Insights in Accurately Predicting Substrate Specificities of GH31 Family Glycosidases. Acs Sustain Chem Eng, 8, 2020
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3GEG
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![BU of 3geg by Molmil](/molmil-images/mine/3geg) | Fingerprint and Structural Analysis of a SCOR enzyme with its bound cofactor from Clostridium thermocellum | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Huether, R, Liu, Z.J, Xu, H, Wang, B.C, Pletnev, V, Mao, Q, Umland, T, Duax, W. | Deposit date: | 2009-02-25 | Release date: | 2009-03-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Sequence fingerprint and structural analysis of the SCOR enzyme A3DFK9 from Clostridium thermocellum. Proteins, 78, 2010
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5H9W
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![BU of 5h9w by Molmil](/molmil-images/mine/5h9w) | Crystal structure of Regnase PIN domain, form II | Descriptor: | Ribonuclease ZC3H12A, SODIUM ION | Authors: | Yokogawa, M, Tsushima, T, Adachi, W, Noda, N.N, Inagaki, F. | Deposit date: | 2015-12-29 | Release date: | 2016-03-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions Sci Rep, 6, 2016
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3LD6
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![BU of 3ld6 by Molmil](/molmil-images/mine/3ld6) | Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with ketoconazole | Descriptor: | 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, ... | Authors: | Strushkevich, N, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-01-12 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of human CYP51 inhibition by antifungal azoles. J.Mol.Biol., 397, 2010
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2M2U
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2M2W
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![BU of 2m2w by Molmil](/molmil-images/mine/2m2w) | Ternary complex of ASFV Pol X with DNA and MgdGTP | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(P*GP*GP*CP*GP*AP*AP*GP*CP*CP*GP*GP*GP*TP*GP*CP*GP*AP*AP*GP*CP*AP*CP*(DOC))-3', MAGNESIUM ION, ... | Authors: | Wu, W, Su, M, Tsai, M. | Deposit date: | 2013-01-03 | Release date: | 2014-04-02 | Last modified: | 2024-05-01 | 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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2M2Q
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![BU of 2m2q by Molmil](/molmil-images/mine/2m2q) | Solution structure of MCh-1: A novel inhibitor cystine knot peptide from Momordica charantia | Descriptor: | Inhibitor cystine knot peptide MCh-1 | 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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2LYY
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![BU of 2lyy by Molmil](/molmil-images/mine/2lyy) | NMR structure of the protein NB7890A from Shewanella sp | Descriptor: | Uncharacterized protein | Authors: | Serrano, P, Geralt, M, Pedrini, B, Wuthrich, K, Horst, R, Augustyniak, W, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2012-09-21 | Release date: | 2012-10-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structure of the protein NB7890A from Shewanella sp To be Published
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2I7P
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![BU of 2i7p by Molmil](/molmil-images/mine/2i7p) | Crystal structure of human PANK3 in complex with AcCoA | Descriptor: | ACETYL COENZYME *A, Pantothenate kinase 3 | Authors: | Hong, B.S, Wang, L, Shen, L, Tempel, W, Loppnau, P, Finerty, P, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC) | Deposit date: | 2006-08-31 | Release date: | 2006-12-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of human pantothenate kinases. Insights into allosteric regulation and mutations linked to a neurodegeneration disorder. J.Biol.Chem., 282, 2007
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6DU3
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![BU of 6du3 by Molmil](/molmil-images/mine/6du3) | Structure of Scp1 D96N bound to REST-pS861/4 peptide | Descriptor: | Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION, REST-pS861 | Authors: | Burkholder, N.T, Mayfield, J.E, Yu, X, Irani, S, Arce, D.K, Jiang, F, Matthews, W, Xue, Y, Zhang, Y.J. | Deposit date: | 2018-06-19 | Release date: | 2018-09-26 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Phosphatase activity of small C-terminal domain phosphatase 1 (SCP1) controls the stability of the key neuronal regulator RE1-silencing transcription factor (REST). J. Biol. Chem., 293, 2018
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5FWJ
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![BU of 5fwj by Molmil](/molmil-images/mine/5fwj) | Crystal structure of human JARID1C in complex with KDM5-C49 | Descriptor: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, HISTONE DEMETHYLASE JARID1C, MAGNESIUM ION, ... | Authors: | Srikannathasan, V, Szykowska, A, Strain-Damerell, C, Kopec, J, Nowak, R, Gileadi, C, Johansson, C, Kupinska, K, Burgess-Brown, N.A, Shrestha, L, Dong, W, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Huber, K, Oppermann, U. | Deposit date: | 2016-02-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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2ME3
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![BU of 2me3 by Molmil](/molmil-images/mine/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
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![BU of 2m2r by Molmil](/molmil-images/mine/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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5HKQ
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![BU of 5hkq by Molmil](/molmil-images/mine/5hkq) | Crystal structure of CDI complex from Escherichia coli STEC_O31 | Descriptor: | CdiI immunity protein, Contact-dependent inhibitor A | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | Deposit date: | 2016-01-14 | Release date: | 2017-01-18 | Last modified: | 2020-03-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional plasticity of antibacterial EndoU toxins. Mol.Microbiol., 109, 2018
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3LOC
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![BU of 3loc by Molmil](/molmil-images/mine/3loc) | Crystal structure of putative transcriptional regulator ycdc | Descriptor: | HTH-type transcriptional regulator rutR, URACIL | Authors: | Patskovsky, Y.V, Knapik, A.A, Mennella, V, Burley, S.K, Minor, W, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-02-03 | Release date: | 2010-03-16 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Hypothetical Transcriptional Regulator Ycdc from Escherichia Coli To be Published
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3LNL
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![BU of 3lnl by Molmil](/molmil-images/mine/3lnl) | Crystal structure of Staphylococcus aureus protein SA1388 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, UPF0135 protein SA1388, ZINC ION | Authors: | Singh, K.S, Chruszcz, M, Zhang, X, Minor, W, Zhang, H. | Deposit date: | 2010-02-02 | Release date: | 2010-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a Conserved Hypothetical Protein Sa1388 from S. aureus Reveals a Capped Hexameric Toroid with Two Pii Domain Lids and a Dinuclear Metal Center. Bmc Struct.Biol., 6, 2006
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3LWV
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![BU of 3lwv by Molmil](/molmil-images/mine/3lwv) | Structure of H/ACA RNP bound to a substrate RNA containing 2'-deoxyuridine | Descriptor: | 5'-R(*GP*AP*GP*CP*GP*(du)P*GP*CP*GP*GP*UP*UP*U)-3', 50S ribosomal protein L7Ae, H/ACA RNA, ... | Authors: | Zhou, J, Liang, B, Lv, C, Yang, W, Li, H. | Deposit date: | 2010-02-24 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Functional and Structural Impact of Target Uridine Substitutions on the H/ACA Ribonucleoprotein Particle Pseudouridine Synthase . Biochemistry, 49, 2010
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6EDL
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![BU of 6edl by Molmil](/molmil-images/mine/6edl) | hALK in complex with compound 1 (S)-N-(1-(2,4-difluorophenyl)ethyl)-3-(3-methyl-1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-amine | Descriptor: | ALK tyrosine kinase receptor, N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine | Authors: | Lane, W, Saikatendu, K. | Deposit date: | 2018-08-09 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors. J.Med.Chem., 62, 2019
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