1FCK
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![BU of 1fck by Molmil](/molmil-images/mine/1fck) | STRUCTURE OF DICERIC HUMAN LACTOFERRIN | Descriptor: | CARBONATE ION, CERIUM (III) ION, LACTOFERRIN | Authors: | Baker, H.M, Baker, C.J, Smith, C.A, Baker, E.N. | Deposit date: | 2000-07-18 | Release date: | 2001-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Metal substitution in transferrins: specific binding of cerium(IV) revealed by the crystal structure of cerium-substituted human lactoferrin. J.Biol.Inorg.Chem., 5, 2000
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6JN7
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![BU of 6jn7 by Molmil](/molmil-images/mine/6jn7) | Structure of H216A mutant closed form peptidoglycan peptidase | Descriptor: | D(-)-TARTARIC ACID, Peptidase M23, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-03-13 | Release date: | 2020-01-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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6MJM
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![BU of 6mjm by Molmil](/molmil-images/mine/6mjm) | Substrate Free Cytochrome P450 3A5 (CYP3A5) | Descriptor: | Cytochrome P450 3A5, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hsu, M.H, Johnson, E.F. | Deposit date: | 2018-09-21 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Active-site differences between substrate-free and ritonavir-bound cytochrome P450 (CYP) 3A5 reveal plasticity differences between CYP3A5 and CYP3A4. J.Biol.Chem., 294, 2019
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6N9J
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![BU of 6n9j by Molmil](/molmil-images/mine/6n9j) | |
6JMY
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![BU of 6jmy by Molmil](/molmil-images/mine/6jmy) | Structure of wild type closed form of peptidoglycan peptidase | Descriptor: | CITRIC ACID, Peptidase M23, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-03-13 | Release date: | 2020-01-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.661 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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3OWP
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![BU of 3owp by Molmil](/molmil-images/mine/3owp) | Human cAMP-dependent protein kinase in complex with an inhibitor | Descriptor: | (2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-09-20 | Release date: | 2011-09-21 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | fragment based drug design on PKA To be Published
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4R2E
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![BU of 4r2e by Molmil](/molmil-images/mine/4r2e) | Wilms Tumor Protein (WT1) zinc fingers in complex with methylated DNA | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), Wilms tumor protein, ... | Authors: | Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X. | Deposit date: | 2014-08-11 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence. Genes Dev., 28, 2014
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6JIC
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![BU of 6jic by Molmil](/molmil-images/mine/6jic) | Identification and Characterization of a carboxypeptidase inhibitor from Lycium barbarum | Descriptor: | WCI | Authors: | Tan, W.L, Wong, K.H, Huang, J.Y, Tay, S.V, Wang, S.J. | Deposit date: | 2019-02-20 | Release date: | 2020-02-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Identification and characterization of a wolfberry carboxypeptidase inhibitor from Lycium barbarum. Food Chem, 351, 2021
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6HGN
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![BU of 6hgn by Molmil](/molmil-images/mine/6hgn) | |
6HMW
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![BU of 6hmw by Molmil](/molmil-images/mine/6hmw) | Cholera toxin classical B-pentamer in complex with fucose | Descriptor: | BICINE, CALCIUM ION, Cholera enterotoxin B-subunit, ... | Authors: | Krengel, U, Heim, J.B. | Deposit date: | 2018-09-13 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site. Sci Rep, 9, 2019
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3OLL
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![BU of 3oll by Molmil](/molmil-images/mine/3oll) | Crystal structure of phosphorylated estrogen receptor beta ligand binding domain | Descriptor: | ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, Rose, R, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-26 | Release date: | 2010-11-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain. Chembiochem, 11, 2010
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3OMP
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![BU of 3omp by Molmil](/molmil-images/mine/3omp) | Fragment-Based Design of novel Estrogen Receptor Ligands | Descriptor: | 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-27 | Release date: | 2011-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach. J.Med.Chem., 54, 2011
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3OVV
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![BU of 3ovv by Molmil](/molmil-images/mine/3ovv) | Human cAMP-dependent protein kinase in complex with an inhibitor | Descriptor: | (2S,3S)-butane-2,3-diol, N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-09-17 | Release date: | 2011-09-21 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | fragment based drug design on PKA To be Published
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8AIK
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![BU of 8aik by Molmil](/molmil-images/mine/8aik) | |
8AJI
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![BU of 8aji by Molmil](/molmil-images/mine/8aji) | Crystal structure of DltE from L. plantarum, TCEP form | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, Beta-lactamase family protein, GLYCEROL, ... | Authors: | Ravaud, S, Nikolopoulos, N, Grangeasse, C. | Deposit date: | 2022-07-28 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth. Elife, 12, 2023
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8AKH
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![BU of 8akh by Molmil](/molmil-images/mine/8akh) | Crystal structure of DltE from L. plantarum soaked with LTA | Descriptor: | Beta-lactamase family protein, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Ravaud, S, Nikolopoulos, N, Grangeasse, C. | Deposit date: | 2022-07-29 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth. Elife, 12, 2023
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8AGR
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![BU of 8agr by Molmil](/molmil-images/mine/8agr) | Crystal structure of DltE from L. plantarum, apo form | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase family protein, SULFATE ION | Authors: | Ravaud, S, Nikolopoulos, N, Grangeasse, C. | Deposit date: | 2022-07-20 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth. Elife, 12, 2023
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2YLF
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4R2R
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![BU of 4r2r by Molmil](/molmil-images/mine/4r2r) | Wilms Tumor Protein (WT1) zinc fingers in complex with carboxylated DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | Authors: | Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X. | Deposit date: | 2014-08-12 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence. Genes Dev., 28, 2014
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3P0C
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![BU of 3p0c by Molmil](/molmil-images/mine/3p0c) | Nischarin PX-domain | Descriptor: | GLYCEROL, Nischarin | Authors: | Schutz, P, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Welin, M, Weigelt, J, Nordlund, P, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-09-28 | Release date: | 2010-10-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.273 Å) | Cite: | Crystal structure of Nischarin PX-domain to be published
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3P0M
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![BU of 3p0m by Molmil](/molmil-images/mine/3p0m) | Human cAMP-dependent protein kinase in complex with an inhibitor | Descriptor: | (2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-09-29 | Release date: | 2011-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Fragment based drug design on PKA To be Published
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6HJD
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![BU of 6hjd by Molmil](/molmil-images/mine/6hjd) | Cholera toxin classical B-pentamer in complex with Lewis-x | Descriptor: | BICINE, CALCIUM ION, Cholera toxin B subunit, ... | Authors: | Krengel, U, Heim, J.B. | Deposit date: | 2018-09-03 | Release date: | 2019-08-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site. Sci Rep, 9, 2019
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8DYC
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![BU of 8dyc by Molmil](/molmil-images/mine/8dyc) | Human CYP3A4 bound to a substrate | Descriptor: | 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Cytochrome P450 3A4, GLYCEROL, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-08-04 | Release date: | 2022-10-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site. Int J Mol Sci, 23, 2022
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1FMO
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![BU of 1fmo by Molmil](/molmil-images/mine/1fmo) | CRYSTAL STRUCTURE OF A POLYHISTIDINE-TAGGED RECOMBINANT CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH THE PEPTIDE INHIBITOR PKI(5-24) AND ADENOSINE | Descriptor: | ADENOSINE, CAMP-DEPENDENT PROTEIN KINASE, HEAT STABLE RABBIT SKELETAL MUSCLE INHIBITOR PROTEIN | Authors: | Narayana, N, Cox, S, Shaltiel, S, Taylor, S.S, Xuong, N.-H. | Deposit date: | 1997-07-08 | Release date: | 1998-01-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of cAMP-dependent protein kinase complexed with the peptide inhibitor PKI(5-24) and adenosine. Biochemistry, 36, 1997
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3P4F
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![BU of 3p4f by Molmil](/molmil-images/mine/3p4f) | Structural and biochemical insights into MLL1 core complex assembly and regulation. | Descriptor: | Histone-lysine N-methyltransferase MLL, Retinoblastoma-binding protein 5, WD repeat-containing protein 5 | Authors: | Avdic, V, Zhang, P, Lanouette, S, Groulx, A, Tremblay, V, Brunzelle, J.B, Couture, J.-F. | Deposit date: | 2010-10-06 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and biochemical insights into MLL1 core complex assembly. Structure, 19, 2011
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