4AW0
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![BU of 4aw0 by Molmil](/molmil-images/mine/4aw0) | Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 Bound to the PIF-Pocket | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DIMETHYL SULFOXIDE, ... | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | Deposit date: | 2012-05-30 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site. Chem.Biol., 19, 2012
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4AW1
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![BU of 4aw1 by Molmil](/molmil-images/mine/4aw1) | Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the PIF-Pocket | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | Deposit date: | 2012-05-30 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site. Chem.Biol., 19, 2012
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1R3O
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![BU of 1r3o by Molmil](/molmil-images/mine/1r3o) | Crystal structure of the first RNA duplex in L-conformation at 1.9A resolution | Descriptor: | L-RNA | Authors: | Vallazza, M, Perbandt, M, Klussmann, S, Rypniewski, W, Erdmann, V.A, Betzel, C. | Deposit date: | 2003-10-02 | Release date: | 2003-12-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | First look at RNA in L-configuration. Acta Crystallogr.,Sect.D, 60, 2004
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2B4J
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![BU of 2b4j by Molmil](/molmil-images/mine/2b4j) | Structural basis for the recognition between HIV-1 integrase and LEDGF/p75 | Descriptor: | GLYCEROL, Integrase (IN), PC4 and SFRS1 interacting protein, ... | Authors: | Cherepanov, P, Ambrosio, A.L, Rahman, S, Ellenberger, T, Engelman, A. | Deposit date: | 2005-09-24 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural basis for the recognition between HIV-1 integrase and transcriptional coactivator p75 Proc.Natl.Acad.Sci.Usa, 102, 2005
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5L4N
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![BU of 5l4n by Molmil](/molmil-images/mine/5l4n) | Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 1 | Descriptor: | (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2016-05-26 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity. Molecules, 22, 2017
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5LHR
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![BU of 5lhr by Molmil](/molmil-images/mine/5lhr) | The catalytic domain of murine urokinase-type plasminogen activator in complex with the active site binding inhibitory nanobody Nb22 | Descriptor: | Camelid-Derived Antibody Fragment Nb22, Urokinase-type plasminogen activator | Authors: | Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. | Deposit date: | 2016-07-12 | Release date: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator. Sci Rep, 7, 2017
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5LHP
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![BU of 5lhp by Molmil](/molmil-images/mine/5lhp) | The p-aminobenzamidine active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7 | Descriptor: | 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment, P-AMINO BENZAMIDINE, ... | Authors: | Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. | Deposit date: | 2016-07-12 | Release date: | 2017-06-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator. Sci Rep, 7, 2017
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5LHN
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![BU of 5lhn by Molmil](/molmil-images/mine/5lhn) | The catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7 | Descriptor: | 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment Nb7, SULFATE ION, ... | Authors: | Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P, Andreasen, P.A. | Deposit date: | 2016-07-12 | Release date: | 2017-06-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator. Sci Rep, 7, 2017
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4ZPS
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![BU of 4zps by Molmil](/molmil-images/mine/4zps) | Crystal Structure of Protocadherin Gamma A8 EC1-3 | Descriptor: | CALCIUM ION, MCG133388, isoform CRA_m, ... | Authors: | Goodman, K.M, Mannepalli, S, Shapiro, L. | Deposit date: | 2015-05-08 | Release date: | 2015-10-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions. Cell, 163, 2015
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4ZPM
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![BU of 4zpm by Molmil](/molmil-images/mine/4zpm) | Crystal Structure of Protocadherin Alpha C2 EC1-3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdhac2, ... | Authors: | Goodman, K.M, Mannepalli, S, Shapiro, L. | Deposit date: | 2015-05-08 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions. Cell, 163, 2015
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2YLN
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![BU of 2yln by Molmil](/molmil-images/mine/2yln) | Crystal structure of the L-cystine solute receptor of Neisseria gonorrhoeae in the closed conformation | Descriptor: | CYSTEINE, GLYCEROL, PUTATIVE ABC TRANSPORTER, ... | Authors: | Bulut, H, Moniot, S, Scheffel, F, Gathmann, S, Licht, A, Saenger, W, Schneider, E. | Deposit date: | 2011-06-03 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria Gonorrhoeae. J.Mol.Biol., 415, 2012
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5WIF
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![BU of 5wif by Molmil](/molmil-images/mine/5wif) | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, BORIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Shatsman, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-07-19 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis To Be Published
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5WCM
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![BU of 5wcm by Molmil](/molmil-images/mine/5wcm) | Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement | Descriptor: | 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S. | Deposit date: | 2017-06-30 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides. Antimicrob. Agents Chemother., 54, 2010
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5LQD
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![BU of 5lqd by Molmil](/molmil-images/mine/5lqd) | Trehalose-6-phosphate synthase, GDP-glucose-dependent OtsA | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase | Authors: | Miah, F, Asencion Diez, M.D, Stevenson, C.E.M, Lawson, D.M, Iglesias, A.A, Bornemann, S. | Deposit date: | 2016-08-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Production and Utilization of GDP-glucose in the Biosynthesis of Trehalose 6-Phosphate by Streptomyces venezuelae. J. Biol. Chem., 292, 2017
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5LG2
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![BU of 5lg2 by Molmil](/molmil-images/mine/5lg2) | Horse L type ferritin iron loaded for 60 minutes | Descriptor: | CADMIUM ION, CHLORIDE ION, FE (III) ION, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | Deposit date: | 2016-07-05 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Chemistry at the protein-mineral interface in L-ferritin assists the assembly of a functional ( mu (3)-oxo)Tris[( mu (2)-peroxo)] triiron(III) cluster. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5LGV
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![BU of 5lgv by Molmil](/molmil-images/mine/5lgv) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltooctaose | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2016-07-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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5LGW
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![BU of 5lgw by Molmil](/molmil-images/mine/5lgw) | GlgE isoform 1 from Streptomyces coelicolor D394A mutant co-crystallised with maltodextrin | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ... | Authors: | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2016-07-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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1RRA
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![BU of 1rra by Molmil](/molmil-images/mine/1rra) | RIBONUCLEASE A FROM RATTUS NORVEGICUS (COMMON RAT) | Descriptor: | PHOSPHATE ION, PROTEIN (RIBONUCLEASE) | Authors: | Gupta, V, Muyldermans, S, Wyns, L, Salunke, D. | Deposit date: | 1998-12-04 | Release date: | 1998-12-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of recombinant rat pancreatic RNase A. Proteins, 35, 1999
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3M4A
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![BU of 3m4a by Molmil](/molmil-images/mine/3m4a) | Crystal structure of a bacterial topoisomerase IB in complex with DNA reveals a secondary DNA binding site | Descriptor: | ACETIC ACID, DNA (5'-D(*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*CP*CP*TP*TP*AP*TP*TP*C)-3'), ... | Authors: | Patel, A, Yakovleva, L, Shuman, S, Mondragon, A. | Deposit date: | 2010-03-10 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of a bacterial topoisomerase IB in complex with DNA reveals a secondary DNA binding site. Structure, 18, 2010
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1RJC
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![BU of 1rjc by Molmil](/molmil-images/mine/1rjc) | Crystal structure of the camelid single domain antibody cAb-Lys2 in complex with hen egg white lysozyme | Descriptor: | GLYCEROL, Lysozyme C, PHOSPHATE ION, ... | Authors: | De Genst, E, Silence, K, Ghahroudi, M.A, Decanniere, K, Loris, R, Kinne, J, Wyns, L, Muyldermans, S. | Deposit date: | 2003-11-19 | Release date: | 2005-02-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Strong in vivo maturation compensates for structurally restricted H3 loops in antibody repertoires. J.Biol.Chem., 280, 2005
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1R4D
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![BU of 1r4d by Molmil](/molmil-images/mine/1r4d) | Solution structure of the chimeric L/D DNA oligonucleotide d(C8metGCGC(L)G(L)CGCG)2 | Descriptor: | 5'-D(*CP*(8MG)P*CP*GP*(0DC)P*(0DG)P*CP*GP*CP*G)-3' | Authors: | Cherrak, I, Mauffret, O, Santamaria, F, Rayner, B, Hocquet, A, Ghomi, M, Fermandjian, S. | Deposit date: | 2003-10-06 | Release date: | 2003-10-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | L-nucleotides and 8-methylguanine of d(C1m8G2C3G4C5LG6LC7G8C9G10)2 act cooperatively to promote a left-handed helix under physiological salt conditions. Nucleic Acids Res., 31, 2003
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2ARB
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![BU of 2arb by Molmil](/molmil-images/mine/2arb) | Pterocarpus angolensis Lectin (PAL) In Complex With The GlcNAc(beta1-2)Man Disaccharide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Buts, L, Garcia-Pino, A, Imberty, A, Amiot, N, Boons, G.-J, Versees, W, Lah, J, Beeckmans, S, Wyns, L, Loris, R. | Deposit date: | 2005-08-19 | Release date: | 2006-08-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the recognition of complex-type biantennary oligosaccharides by Pterocarpus angolensis lectin. Febs J., 273, 2006
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2AUY
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![BU of 2auy by Molmil](/molmil-images/mine/2auy) | Pterocarpus angolensis lectin in complex with the trisaccharide GlcNAc(b1-2)Man(a1-3)Man | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-methyl alpha-D-mannopyranoside, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Buts, L, Garcia-Pino, A, Imberty, A, Amiot, N, Boons, G.-J, Beeckmans, S, Versees, W, Wyns, L, Loris, R. | Deposit date: | 2005-08-29 | Release date: | 2006-08-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for the recognition of complex-type biantennary oligosaccharides by Pterocarpus angolensis lectin. Febs J., 273, 2006
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2L40
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![BU of 2l40 by Molmil](/molmil-images/mine/2l40) | Mouse prion protein (121-231) containing the substitution Y169A | Descriptor: | Major prion protein | Authors: | Christen, B, Damberger, F.F, Perez, D.R, Hornemann, S, Wuthrich, K. | Deposit date: | 2010-09-28 | Release date: | 2011-08-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Cellular prion protein conformation and function. Proc.Natl.Acad.Sci.USA, 108, 2011
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2LT1
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![BU of 2lt1 by Molmil](/molmil-images/mine/2lt1) | |