1I30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i30 by Molmil](/molmil-images/mine/1i30) | E. Coli Enoyl Reductase +NAD+SB385826 | Descriptor: | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Seefeld, M.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | Deposit date: | 2001-02-12 | Release date: | 2002-02-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents. Bioorg.Med.Chem.Lett., 11, 2001
|
|
1I3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i3q by Molmil](/molmil-images/mine/1i3q) | RNA POLYMERASE II CRYSTAL FORM I AT 3.1 A RESOLUTION | Descriptor: | DNA-DIRECTED RNA POLYMERASE II 13.6KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.2KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.5KD POLYPEPTIDE, ... | Authors: | Cramer, P, Bushnell, D.A, Kornberg, R.D. | Deposit date: | 2001-02-15 | Release date: | 2001-04-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis of transcription: RNA polymerase II at 2.8 angstrom resolution. Science, 292, 2001
|
|
2XOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xoe by Molmil](/molmil-images/mine/2xoe) | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the semiquinone form | Descriptor: | ACETATE ION, CACODYLATE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2010-08-14 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin FEBS J., 277, 2010
|
|
2G75
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g75 by Molmil](/molmil-images/mine/2g75) | Crystal Structure of anti-SARS m396 Antibody | Descriptor: | IGG Heavy Chain, IGG Light Chain | Authors: | Prabakaran, P, Gan, J.H, Feng, Y, Zhu, Z.Y, Xiao, X.D, Ji, X, Dimitrov, D.S. | Deposit date: | 2006-02-27 | Release date: | 2006-04-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure of severe acute respiratory syndrome coronavirus receptor-binding domain complexed with neutralizing antibody. J.Biol.Chem., 281, 2006
|
|
2XRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xrm by Molmil](/molmil-images/mine/2xrm) | Processed Intracellular subtilisin from B. clausii | Descriptor: | CALCIUM ION, INTRACELLULAR SUBTILISIN PROTEASE, PENTAETHYLENE GLYCOL, ... | Authors: | Gamble, M, Kunze, G, Dodson, E.J, Jones, D.D, Wilson, K.S. | Deposit date: | 2010-09-20 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Regulation of an Intracellular Subtilisin Protease Activity by a Short Propeptide Sequence Through an Original Combined Dual Mechanism. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
1I8F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i8f by Molmil](/molmil-images/mine/1i8f) | THE CRYSTAL STRUCTURE OF A HEPTAMERIC ARCHAEAL SM PROTEIN: IMPLICATIONS FOR THE EUKARYOTIC SNRNP CORE | Descriptor: | GLYCEROL, PUTATIVE SNRNP SM-LIKE PROTEIN | Authors: | Mura, C, Cascio, D, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2001-03-14 | Release date: | 2001-05-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The crystal structure of a heptameric archaeal Sm protein: Implications for the eukaryotic snRNP core. Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
5DQG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dqg by Molmil](/molmil-images/mine/5dqg) | Crystal Structure of Human DNA Polymerase Eta Inserting dAMPNPP Opposite O4-Ethylthymidine | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(5EJ)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ... | Authors: | Patra, A, OFlaherty, D.K, Egli, M. | Deposit date: | 2015-09-14 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Lesion Orientation ofO4-Alkylthymidine Influences Replication by Human DNA Polymeraseeta. Chem Sci, 7, 2016
|
|
5KNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kns by Molmil](/molmil-images/mine/5kns) | E coli hypoxanthine guanine phosphoribosyltransferase in complexed with 9-[(N-phosphonoethyl-N-phosphonoethoxyethyl)-2-aminoethyl]hypoxanthine | Descriptor: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine-guanine phosphoribosyltransferase, ... | Authors: | Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z. | Deposit date: | 2016-06-28 | Release date: | 2017-07-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.792 Å) | Cite: | Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase Chemistryselect, 1, 2016
|
|
3L3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l3c by Molmil](/molmil-images/mine/3l3c) | Crystal structure of the Bacillus anthracis glmS ribozyme bound to Glc6P | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, GLMS RIBOZYME, MAGNESIUM ION, ... | Authors: | Strobel, S.A, Cochrane, J.C, Lipchock, S.V, Smith, K.D. | Deposit date: | 2009-12-16 | Release date: | 2009-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural and chemical basis for glucosamine 6-phosphate binding and activation of the glmS ribozyme Biochemistry, 48, 2009
|
|
3L4Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l4y by Molmil](/molmil-images/mine/3l4y) | Crystal complex of N-terminal Human Maltase-Glucoamylase with NR4-8II | Descriptor: | (1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sim, L, Rose, D.R. | Deposit date: | 2009-12-21 | Release date: | 2010-02-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata. Biochemistry, 49, 2010
|
|
8HFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hfm by Molmil](/molmil-images/mine/8hfm) | Crystal Structure of Mycobacterium smegmatis MshC | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, ZINC ION | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | Deposit date: | 2022-11-11 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides. Int J Mol Sci, 23, 2022
|
|
1W31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w31 by Molmil](/molmil-images/mine/1w31) | YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 5-HYDROXYLAEVULINIC ACID COMPLEX | Descriptor: | 5-HYDROXYLAEVULINIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, ZINC ION | Authors: | Erskine, P.T, Coates, L, Newbold, R, Brindley, A.A, Stauffer, F, Beaven, G.D.E, Gill, R, Wood, S.P, Warren, M.J, Cooper, J.B, Shoolingin-Jordan, P.M, Neier, R. | Deposit date: | 2004-07-11 | Release date: | 2005-08-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with the Inhibitor 5-Hydroxylaevulinic Acid Acta Crystallogr.,Sect.D, 61, 2005
|
|
6REG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6reg by Molmil](/molmil-images/mine/6reg) | Crystal structure of Pizza6-S with Zn2+ | Descriptor: | GLYCEROL, Pizza6-S, ZINC ION | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Artificial beta-propeller protein-based hydrolases. Chem.Commun.(Camb.), 55, 2019
|
|
8HFO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hfo by Molmil](/molmil-images/mine/8hfo) | Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7d | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide, ... | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | Deposit date: | 2022-11-11 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides. Int J Mol Sci, 23, 2022
|
|
6REK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rek by Molmil](/molmil-images/mine/6rek) | Crystal structure of Pizza6-SH with Cu2+ | Descriptor: | COPPER (II) ION, GLYCEROL, Pizza6-SH | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Artificial beta-propeller protein-based hydrolases. Chem.Commun.(Camb.), 55, 2019
|
|
6XFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xfk by Molmil](/molmil-images/mine/6xfk) | Crystal structure of the type III secretion system pilotin-secretin complex InvH-InvG | Descriptor: | SULFATE ION, Type 3 secretion system pilotin, Type 3 secretion system secretin | Authors: | Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J. | Deposit date: | 2020-06-15 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods. Structure, 29, 2021
|
|
8HFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hfn by Molmil](/molmil-images/mine/8hfn) | Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7b | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide, ... | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | Deposit date: | 2022-11-11 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides. Int J Mol Sci, 23, 2022
|
|
2XF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xf0 by Molmil](/molmil-images/mine/2xf0) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | Deposit date: | 2010-05-19 | Release date: | 2010-06-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
|
|
3KSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ksb by Molmil](/molmil-images/mine/3ksb) | Detailed structural insight into the DNA cleavage complex of type IIA topoisomerases (re-sealed form) | Descriptor: | 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*TP*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*GP*TP*AP*AP*AP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*TP*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3', DNA topoisomerase 4 subunit A, ... | Authors: | Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2009-11-21 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases Plos One, 5, 2010
|
|
2XPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xpk by Molmil](/molmil-images/mine/2xpk) | Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases | Descriptor: | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE, O-GLCNACASE NAGJ | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Zheng, X, Kime, R, Read, K.D, van Aalten, D.M.F. | Deposit date: | 2010-08-26 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cell-Penetrant, Nanomolar O-Glcnacase Inhibitors Selective Against Lysosomal Hexosaminidases. Chem.Biol, 17, 2010
|
|
5VTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vti by Molmil](/molmil-images/mine/5vti) | Structure of Pin1 WW Domain Sequence 3 with [R,R]-ACPC Loop Substitution | Descriptor: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T. | Deposit date: | 2017-05-17 | Release date: | 2018-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure. Chembiochem, 19, 2018
|
|
5DLQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dlq by Molmil](/molmil-images/mine/5dlq) | Crystal structure of RanGTP-Exportin 4-eIF5A complex | Descriptor: | Eukaryotic translation initiation factor 5A-1, Exportin-4, GTP-binding nuclear protein Ran, ... | Authors: | Aksu, M, Trakhanov, S, Gorlich, D. | Deposit date: | 2015-09-07 | Release date: | 2016-06-22 | Last modified: | 2016-06-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of the exportin Xpo4 in complex with RanGTP and the hypusine-containing translation factor eIF5A. Nat Commun, 7, 2016
|
|
6R90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r90 by Molmil](/molmil-images/mine/6r90) | Cryo-EM structure of NCP-THF2(+1)-UV-DDB class A | Descriptor: | DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ... | Authors: | Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H. | Deposit date: | 2019-04-02 | Release date: | 2019-06-12 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | DNA damage detection in nucleosomes involves DNA register shifting. Nature, 571, 2019
|
|
6DIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dic by Molmil](/molmil-images/mine/6dic) | D276G DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog | Descriptor: | 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, CHLORIDE ION, ... | Authors: | Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A. | Deposit date: | 2018-05-23 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition. Nucleic Acids Res., 47, 2019
|
|
2XKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xkg by Molmil](/molmil-images/mine/2xkg) | C.lacteus mini-Hb Leu86Ala mutant | Descriptor: | NEURAL HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Pesce, A, Nardini, M, Dewilde, S, Capece, L, Marti, M.A, Congia, S, Salter, M.D, Blouin, G.C, Estrin, D.A, Ascenzi, P, Moens, L, Bolognesi, M, Olson, J.S. | Deposit date: | 2010-07-08 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ligand Migration in the Apolar Tunnel of Cerebratulus Lacteus Mini-Hemoglobin. J.Biol.Chem., 286, 2011
|
|