5MPA
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![BU of 5mpa by Molmil](/molmil-images/mine/5mpa) | 26S proteasome in presence of ATP (s2) | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | Authors: | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | Deposit date: | 2016-12-16 | Release date: | 2017-03-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural insights into the functional cycle of the ATPase module of the 26S proteasome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4B34
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![BU of 4b34 by Molmil](/molmil-images/mine/4b34) | Humanised monomeric RadA in complex with 2-amino benzothiazole | Descriptor: | 1,3-benzothiazol-2-amine, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-20 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B33
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![BU of 4b33 by Molmil](/molmil-images/mine/4b33) | Humanised monomeric RadA in complex with napht-2-ol | Descriptor: | 1-NAPHTHOL, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-20 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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5MPC
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![BU of 5mpc by Molmil](/molmil-images/mine/5mpc) | 26S proteasome in presence of BeFx (s4) | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | Authors: | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | Deposit date: | 2016-12-16 | Release date: | 2017-03-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Structural insights into the functional cycle of the ATPase module of the 26S proteasome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5MNF
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![BU of 5mnf by Molmil](/molmil-images/mine/5mnf) | |
5MP9
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![BU of 5mp9 by Molmil](/molmil-images/mine/5mp9) | 26S proteasome in presence of ATP (s1) | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | Authors: | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | Deposit date: | 2016-12-16 | Release date: | 2017-03-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural insights into the functional cycle of the ATPase module of the 26S proteasome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5MNC
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![BU of 5mnc by Molmil](/molmil-images/mine/5mnc) | Cationic trypsin in complex with aniline (deuterated sample at 100 K) | Descriptor: | ANILINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.916 Å) | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
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4B2L
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![BU of 4b2l by Molmil](/molmil-images/mine/4b2l) | Humanised monomeric RadA in complex with L-methylester tryptophan | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, methyl L-tryptophanate | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-16 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B2I
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![BU of 4b2i by Molmil](/molmil-images/mine/4b2i) | Humanised monomeric RadA in complex with indazole | Descriptor: | 1H-indazole, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-16 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B35
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![BU of 4b35 by Molmil](/molmil-images/mine/4b35) | Humanised monomeric RadA in complex with 4-methylester indole | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, methyl 1H-indole-4-carboxylate | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-20 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B1H
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![BU of 4b1h by Molmil](/molmil-images/mine/4b1h) | Structure of human PARG catalytic domain in complex with ADP-ribose | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, BETA-MERCAPTOETHANOL, GLYCEROL, ... | Authors: | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Smith, G, Tucker, J.A, Watson, M. | Deposit date: | 2012-07-10 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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4B3D
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![BU of 4b3d by Molmil](/molmil-images/mine/4b3d) | Humanised monomeric RadA in complex with 5-methyl indole | Descriptor: | 5-METHYL INDOLE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-23 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B1J
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![BU of 4b1j by Molmil](/molmil-images/mine/4b1j) | Structure of human PARG catalytic domain in complex with ADP-HPD | Descriptor: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, ... | Authors: | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M. | Deposit date: | 2012-07-10 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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4B3B
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![BU of 4b3b by Molmil](/molmil-images/mine/4b3b) | Humanised monomeric RadA in complex with FHTA tetrapeptide | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTA TETRAPEPTIDE, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-23 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.193 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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5MNE
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![BU of 5mne by Molmil](/molmil-images/mine/5mne) | |
5MNN
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![BU of 5mnn by Molmil](/molmil-images/mine/5mnn) | Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 K) | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.859 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MPD
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![BU of 5mpd by Molmil](/molmil-images/mine/5mpd) | 26S proteasome in presence of ATP (s1) | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ... | Authors: | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | Deposit date: | 2016-12-16 | Release date: | 2017-03-08 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural insights into the functional cycle of the ATPase module of the 26S proteasome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5MLD
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![BU of 5mld by Molmil](/molmil-images/mine/5mld) | Crystal Structure of RosB with bound intermediate AFP (8-demethyl-8-aminoriboflavin-5'-phosphate) | Descriptor: | 8-demethyl-8-aminoriboflavin-5'-phosphate, BRAMP domain protein | Authors: | Konjik, V, Bruenle, S, Demmer, U, Vanselow, A, Sandhoff, R, Mack, M, Ermler, U. | Deposit date: | 2016-12-06 | Release date: | 2017-12-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of RosB gives insights into the reaction mechanism of this first known member of a new family of flavodoxin-like enzymes To be published
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4B1I
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![BU of 4b1i by Molmil](/molmil-images/mine/4b1i) | Structure of human PARG catalytic domain in complex with OA-ADP-HPD | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol, GLYCEROL, ... | Authors: | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, Johnson, T, McAlister, M, Smith, G, Tucker, J.A, Watson, M. | Deposit date: | 2012-07-10 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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4DR9
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![BU of 4dr9 by Molmil](/molmil-images/mine/4dr9) | Crystal structure of a peptide deformylase from synechococcus elongatus in complex with actinonin | Descriptor: | ACTINONIN, BROMIDE ION, Peptide deformylase, ... | Authors: | Lorimer, D, Abendroth, J, Craig, T, Burgin, A, Segall, A, Rohwler, F. | Deposit date: | 2012-02-17 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and function of a cyanophage-encoded peptide deformylase. ISME J, 7, 2013
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5N61
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![BU of 5n61 by Molmil](/molmil-images/mine/5n61) | RNA polymerase I initially transcribing complex | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Engel, C, Gubbey, T, Neyer, S, Sainsbury, S, Oberthuer, C, Baejen, C, Bernecky, C, Cramer, P. | Deposit date: | 2017-02-14 | Release date: | 2017-04-05 | Last modified: | 2019-10-02 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Basis of RNA Polymerase I Transcription Initiation. Cell, 169, 2017
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4B1G
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![BU of 4b1g by Molmil](/molmil-images/mine/4b1g) | Structure of unliganded human PARG catalytic domain | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, SULFATE ION | Authors: | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M. | Deposit date: | 2012-07-10 | Release date: | 2012-12-19 | Last modified: | 2013-01-16 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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4DJ9
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![BU of 4dj9 by Molmil](/molmil-images/mine/4dj9) | Human vinculin head domain Vh1 (residues 1-258) in complex with the talin vinculin binding site 50 (VBS50, residues 2078-2099) | Descriptor: | Talin-1, Vinculin | Authors: | Yogesha, S.D, Rangarajan, E.S, Vonrhein, C, Bricogne, G, Izard, T. | Deposit date: | 2012-02-01 | Release date: | 2012-02-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of vinculin in complex with vinculin binding site 50 (VBS50), the integrin binding site 2 (IBS2) of talin. Protein Sci., 21, 2012
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4AXV
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![BU of 4axv by Molmil](/molmil-images/mine/4axv) | Biochemical and structural characterization of the MpaA amidase as part of a conserved scavenging pathway for peptidoglycan derived peptides in gamma-proteobacteria | Descriptor: | 1,2-ETHANEDIOL, MPAA, ZINC ION | Authors: | Maqbool, A, Herve, M, Mengin-Lecreulx, D, Dodson, E, Wilkinson, A.J, Thomas, G.H. | Deposit date: | 2012-06-14 | Release date: | 2012-09-26 | Last modified: | 2020-03-04 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Mpaa is a Murein-Tripeptide-Specific Zinc Carboxypeptidase that Functions as Part of a Catabolic Pathway for Peptidoglycan Derived Peptides in Gamma-Proteobacteria. Biochem.J., 448, 2012
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5N5Y
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![BU of 5n5y by Molmil](/molmil-images/mine/5n5y) | Cryo-EM structure of RNA polymerase I in complex with Rrn3 and Core Factor (Orientation III) | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Engel, C, Gubbey, T, Neyer, S, Sainsbury, S, Oberthuer, C, Baejen, C, Bernecky, C, Cramer, P. | Deposit date: | 2017-02-14 | Release date: | 2017-04-05 | Last modified: | 2018-10-03 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Structural Basis of RNA Polymerase I Transcription Initiation. Cell, 169, 2017
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