1EVE
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![BU of 1eve by Molmil](/molmil-images/mine/1eve) | THREE DIMENSIONAL STRUCTURE OF THE ANTI-ALZHEIMER DRUG, E2020 (ARICEPT), COMPLEXED WITH ITS TARGET ACETYLCHOLINESTERASE | Descriptor: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kryger, G, Silman, I, Sussman, J.L. | Deposit date: | 1998-03-04 | Release date: | 1999-01-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of acetylcholinesterase complexed with E2020 (Aricept): implications for the design of new anti-Alzheimer drugs. Structure Fold.Des., 7, 1999
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5OA8
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![BU of 5oa8 by Molmil](/molmil-images/mine/5oa8) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with demethylated cyclopeptin (1d) | Descriptor: | 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ... | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | Deposit date: | 2017-06-21 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ. Nat Commun, 9, 2018
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5OBV
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![BU of 5obv by Molmil](/molmil-images/mine/5obv) | Mycoplasma genitalium DnaK deletion mutant lacking SBDalpha in complex with ADP and Pi. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein DnaK, PHOSPHATE ION | Authors: | Adell, M, Calisto, B, Fita, I, Martinelli, L. | Deposit date: | 2017-06-29 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone. Protein Sci., 27, 2018
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5OHX
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![BU of 5ohx by Molmil](/molmil-images/mine/5ohx) | Structure of active cystathionine B-synthase from Apis mellifera | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Gimenez-Mascarell, P, Majtan, T, Oyenarte, I, Ereno-Orbea, J, Majtan, J, Kraus, J.P, Klaudiny, J, Martinez-Cruz, L.A. | Deposit date: | 2017-07-18 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of cystathionine beta-synthase from honeybee Apis mellifera. J. Struct. Biol., 202, 2018
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1DSK
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![BU of 1dsk by Molmil](/molmil-images/mine/1dsk) | NMR SOLUTION STRUCTURE OF VPR59_86, 20 STRUCTURES | Descriptor: | VPR PROTEIN | Authors: | Yao, S, Torres, A.M, Azad, A.A, Macreadie, I.G, Norton, R.S. | Deposit date: | 1997-10-23 | Release date: | 1998-07-01 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Solution structure of peptides from HIV-1 Vpr protein that cause membrane permeabilization and growth arrest. J. Pept. Sci., 4, 1998
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5O2O
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![BU of 5o2o by Molmil](/molmil-images/mine/5o2o) | Lytic transglycosylase in action | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transglycosylase | Authors: | Williams, A.H, Hoauz, A, Boneca, I.G. | Deposit date: | 2017-05-22 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Lytic transglycosylase in action To Be Published
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4ZV5
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![BU of 4zv5 by Molmil](/molmil-images/mine/4zv5) | Crystal structure of N-myristoylated mouse mammary tumor virus matrix protein | Descriptor: | MYRISTIC ACID, Matrix protein p10 | Authors: | Zabransky, A, Dolezal, M, Dostal, J, Vanek, O, Hadravova, R, Stokrova, J, Brynda, J, Pichova, I. | Deposit date: | 2015-05-18 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Myristoylation drives dimerization of matrix protein from mouse mammary tumor virus. Retrovirology, 13, 2016
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3S9Z
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![BU of 3s9z by Molmil](/molmil-images/mine/3s9z) | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-bromophenyl)-2,4-dioxobutanoic acid inhibitor | Descriptor: | 4-(2-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | Authors: | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | Deposit date: | 2011-06-02 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.793 Å) | Cite: | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
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5O24
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![BU of 5o24 by Molmil](/molmil-images/mine/5o24) | Lytic transglycosylase in action | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Transglycosylase | Authors: | Williams, A.H, Hoauz, A, Boneca, I.G. | Deposit date: | 2017-05-19 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.429 Å) | Cite: | A step-by-stepin crystalloguide to bond cleavage and 1,6-anhydro-sugar product synthesis by a peptidoglycan-degrading lytic transglycosylase. J. Biol. Chem., 293, 2018
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3S9I
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![BU of 3s9i by Molmil](/molmil-images/mine/3s9i) | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-4-dioxo-4-phenylbutanoic acid inhibitor | Descriptor: | 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MAGNESIUM ION, Malate synthase G | Authors: | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | Deposit date: | 2011-06-01 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
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5O5B
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![BU of 5o5b by Molmil](/molmil-images/mine/5o5b) | Poliovirus type 3 (strain Saukett) stabilized virus-like particle | Descriptor: | Capsid proteins, VP1, VP2, ... | Authors: | Bahar, M.W, Kotecha, A, Fry, E.E, Stuart, D.I. | Deposit date: | 2017-06-01 | Release date: | 2017-07-12 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Plant-made polio type 3 stabilized VLPs-a candidate synthetic polio vaccine. Nat Commun, 8, 2017
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1DWS
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![BU of 1dws by Molmil](/molmil-images/mine/1dws) | PHOTOLYZED CARBONMONOXY MYOGLOBIN (HORSE HEART) | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I. | Deposit date: | 1999-12-11 | Release date: | 2000-03-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin Nature, 403, 2000
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1E2S
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![BU of 1e2s by Molmil](/molmil-images/mine/1e2s) | Crystal structure of an Arylsulfatase A mutant C69A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Arylsulfatase A, MAGNESIUM ION, ... | Authors: | von Buelow, R, Schmidt, B, Dierks, T, von Figura, K, Uson, I. | Deposit date: | 2000-05-24 | Release date: | 2000-12-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of an enzyme-substrate complex provides insight into the interaction between human arylsulfatase A and its substrates during catalysis. J. Mol. Biol., 305, 2001
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2MZ2
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![BU of 2mz2 by Molmil](/molmil-images/mine/2mz2) | |
3SGK
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![BU of 3sgk by Molmil](/molmil-images/mine/3sgk) | Unique carbohydrate/carbohydrate interactions are required for high affinity binding of FcgIII and antibodies lacking core fucose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment, ... | Authors: | Ferrara, C, Grau, S, Jaeger, C, Sondermann, P, Bruenker, P, Waldhauer, I, Hennig, M, Ruf, A, Rufer, A.C, Stihle, M, Umana, P, Benz, J. | Deposit date: | 2011-06-15 | Release date: | 2011-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Unique carbohydrate-carbohydrate interactions are required for high affinity binding between FcgammaRIII and antibodies lacking core fucose. Proc.Natl.Acad.Sci.USA, 108, 2011
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1E3C
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![BU of 1e3c by Molmil](/molmil-images/mine/1e3c) | Crystal structure of an Arylsulfatase A mutant C69S soaked in synthetic substrate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Arylsulfatase A, MAGNESIUM ION | Authors: | von Buelow, R, Schmidt, B, Dierks, T, von Figura, K, Uson, I. | Deposit date: | 2000-06-13 | Release date: | 2001-03-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of an enzyme-substrate complex provides insight into the interaction between human arylsulfatase A and its substrates during catalysis. J. Mol. Biol., 305, 2001
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2UYA
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![BU of 2uya by Molmil](/molmil-images/mine/2uya) | DEL162-163 mutant of Bacillus subtilis Oxalate Decarboxylase OxdC | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2007-04-03 | Release date: | 2007-08-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations. Biochem.J., 407, 2007
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2N9Q
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![BU of 2n9q by Molmil](/molmil-images/mine/2n9q) | Photoswitchable G-quadruplex | Descriptor: | DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3'), POTASSIUM ION | Authors: | Thevarpadam, J, Bessi, I, Binas, O, Goncalves, D.P.N, Slavov, C, Jonker, H.R.A, Richter, C, Wachtveitl, J, Schwalbe, H, Heckel, A. | Deposit date: | 2015-12-02 | Release date: | 2016-02-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Photoresponsive Formation of an Intermolecular Minimal G-Quadruplex Motif. Angew.Chem.Int.Ed.Engl., 55, 2016
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5NP5
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![BU of 5np5 by Molmil](/molmil-images/mine/5np5) | Abl2 SH3 pTyr116/161 | Descriptor: | Abelson tyrosine-protein kinase 2, SULFATE ION | Authors: | Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L. | Deposit date: | 2017-04-13 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural insights into the tyrosine phosphorylation-mediated inhibition of SH3 domain-ligand interactions. J.Biol.Chem., 294, 2019
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2N1D
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![BU of 2n1d by Molmil](/molmil-images/mine/2n1d) | Solution structure of the MRG15-MRGBP complex | Descriptor: | MRG/MORF4L-binding protein, Mortality factor 4-like protein 1 | Authors: | Xie, T, Zmysloski, A.M, Zhang, Y, Radhakrishnan, I. | Deposit date: | 2015-03-27 | Release date: | 2015-05-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for Multi-specificity of MRG Domains. Structure, 23, 2015
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2N34
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![BU of 2n34 by Molmil](/molmil-images/mine/2n34) | NMR assignments and solution structure of the JAK interaction region of SOCS5 | Descriptor: | Suppressor of cytokine signaling 5 | Authors: | Chandrashekaran, I.R, Mohanty, B, Linossi, E.M, Nicholson, S.E, Babon, J, Norton, R.S, Dagley, L.F, Leung, E.W.W, Murphy, J.M. | Deposit date: | 2015-05-21 | Release date: | 2015-07-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Functional Characterization of the Conserved JAK Interaction Region in the Intrinsically Disordered N-Terminus of SOCS5. Biochemistry, 54, 2015
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2N4Y
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![BU of 2n4y by Molmil](/molmil-images/mine/2n4y) | Structure and possible function of a G-quadruplex in the long terminal repeat of the proviral HIV-1 genome | Descriptor: | DNA_(5'-D(*CP*TP*GP*GP*GP*CP*GP*GP*GP*AP*CP*TP*GP*GP*GP*GP*AP*GP*TP*GP*GP*T)-3') | Authors: | DeNicola, B, Lech, C.J, Heddi, B, Regmi, S, Frasson, I, Perrone, R, Richter, S.N, Phan, A.T. | Deposit date: | 2015-07-02 | Release date: | 2016-06-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and possible function of a G-quadruplex in the long terminal repeat of the proviral HIV-1 genome. Nucleic Acids Res., 44, 2016
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2UYB
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![BU of 2uyb by Molmil](/molmil-images/mine/2uyb) | S161A mutant of Bacillus subtilis Oxalate Decarboxylase OxdC | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, MANGANESE (II) ION, ... | Authors: | Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2007-04-03 | Release date: | 2007-08-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations. Biochem.J., 407, 2007
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2MTZ
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![BU of 2mtz by Molmil](/molmil-images/mine/2mtz) | Haddock model of Bacillus subtilis L,D-transpeptidase in complex with a peptidoglycan hexamuropeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Putative L,D-transpeptidase YkuD, intact bacterial peptidoglycan | Authors: | Schanda, P, Triboulet, S, Laguri, C, Bougault, C, Ayala, I, Callon, M, Arthur, M, Simorre, J. | Deposit date: | 2014-09-02 | Release date: | 2015-01-14 | Last modified: | 2023-11-15 | Method: | SOLID-STATE NMR | Cite: | Atomic model of a cell-wall cross-linking enzyme in complex with an intact bacterial peptidoglycan. J.Am.Chem.Soc., 136, 2014
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5M8J
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![BU of 5m8j by Molmil](/molmil-images/mine/5m8j) | Crystal structure of Eremococcus coleocola manganese transporter mutant H236A | Descriptor: | Divalent metal cation transporter MntH | Authors: | Manatschal, C, Ehrnstorfer, I.A, Arnold, F.M, Laederach, J, Dutzler, R. | Deposit date: | 2016-10-29 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural and mechanistic basis of proton-coupled metal ion transport in the SLC11/NRAMP family. Nat Commun, 8, 2017
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