6PKO
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![BU of 6pko by Molmil](/molmil-images/mine/6pko) | MicroED structure of proteinase K from a platinum coated, unpolished, single lamella at 2.07A resolution (#12) | Descriptor: | Proteinase K | Authors: | Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. | Deposit date: | 2019-06-29 | Release date: | 2019-09-04 | Last modified: | 2019-12-18 | Method: | ELECTRON CRYSTALLOGRAPHY (2.07 Å) | Cite: | Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED. Structure, 27, 2019
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3KGA
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![BU of 3kga by Molmil](/molmil-images/mine/3kga) | Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor | Descriptor: | 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2 | Authors: | Kroemer, M, Velcicky, J, Izaac, A, Be, C, Huppertz, C, Pflieger, D, Schlapbach, A, Scheufler, C. | Deposit date: | 2009-10-28 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy. Bioorg.Med.Chem.Lett., 20, 2010
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6PQW
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![BU of 6pqw by Molmil](/molmil-images/mine/6pqw) | The crystal structure of 3-methylbenzoate-bound CYP199A4 | Descriptor: | 3-methylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-07-10 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
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3KGP
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![BU of 3kgp by Molmil](/molmil-images/mine/3kgp) | Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol | Descriptor: | 4-(aminomethyl)benzoic acid, SULFATE ION, Urokinase-type plasminogen activator | Authors: | Jiang, L.-G, Zhao, G.-X, Bian, X.-B, Yuan, C, Huang, Z.-X, Huang, M.-D. | Deposit date: | 2009-10-29 | Release date: | 2009-12-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol CHIN.J.STRUCT.CHEM., 28, 2009
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4XW5
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![BU of 4xw5 by Molmil](/molmil-images/mine/4xw5) | X-ray structure of PKAc with ATP, CP20, calcium ions | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | Deposit date: | 2015-01-28 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT. J.Biol.Chem., 290, 2015
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3KK9
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![BU of 3kk9 by Molmil](/molmil-images/mine/3kk9) | CaMKII Substrate Complex B | Descriptor: | Calcium/calmodulin dependent protein kinase II | Authors: | Kuriyan, J, Chao, L.H, Pellicena, P, Deindl, S, Barclay, L.A, Schulman, H. | Deposit date: | 2009-11-04 | Release date: | 2010-02-09 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (3.206 Å) | Cite: | Intersubunit capture of regulatory segments is a component of cooperative CaMKII activation. Nat.Struct.Mol.Biol., 17, 2010
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6PJC
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![BU of 6pjc by Molmil](/molmil-images/mine/6pjc) | HIV-1 Protease NL4-3 WT in Complex with LR4-41 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.965 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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6PKR
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![BU of 6pkr by Molmil](/molmil-images/mine/6pkr) | MicroED structure of proteinase K from a platinum-coated, polished, single lamella at 1.79A resolution (#13) | Descriptor: | Proteinase K | Authors: | Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. | Deposit date: | 2019-06-29 | Release date: | 2019-09-04 | Last modified: | 2019-12-18 | Method: | ELECTRON CRYSTALLOGRAPHY (1.79 Å) | Cite: | Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED. Structure, 27, 2019
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4Y0S
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![BU of 4y0s by Molmil](/molmil-images/mine/4y0s) | Goat beta-lactoglobulin complex with pramocaine (GLG-PRM) | Descriptor: | Beta-lactoglobulin, Pramocaine, SULFATE ION | Authors: | Loch, J.I, Bonarek, P, Polit, A, Jablonski, M, Czub, M, Ye, X, Lewinski, K. | Deposit date: | 2015-02-06 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | beta-Lactoglobulin interactions with local anaesthetic drugs - Crystallographic and calorimetric studies. Int.J.Biol.Macromol., 80, 2015
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3KX5
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![BU of 3kx5 by Molmil](/molmil-images/mine/3kx5) | Crystal structure of Bacillus megaterium BM3 heme domain mutant F261E | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W. | Deposit date: | 2009-12-02 | Release date: | 2010-05-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.686 Å) | Cite: | Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3. Biochem.J., 427, 2010
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4XX4
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![BU of 4xx4 by Molmil](/molmil-images/mine/4xx4) | |
6PE8
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![BU of 6pe8 by Molmil](/molmil-images/mine/6pe8) | Crystal structure of CD40/ABBV-323 FAB complex | Descriptor: | FAB Heavy chain, FAB Light chain, SULFATE ION, ... | Authors: | Argiriadi, M.A. | Deposit date: | 2019-06-20 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches. BMC Mol Cell Biol, 20, 2019
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4Y37
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![BU of 4y37 by Molmil](/molmil-images/mine/4y37) | Endothiapepsin in complex with fragement 305 | Descriptor: | 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, ACETATE ION, Endothiapepsin, ... | Authors: | Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4X9J
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![BU of 4x9j by Molmil](/molmil-images/mine/4x9j) | EGR-1 with Doubly Methylated DNA | Descriptor: | DNA (5'-D(*AP*GP*(5CM)P*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*(5CM)P*GP*C)-3'), Early growth response protein 1, ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | Deposit date: | 2014-12-11 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.412 Å) | Cite: | Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1. Febs Lett., 589, 2015
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3KM4
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![BU of 3km4 by Molmil](/molmil-images/mine/3km4) | Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors | Descriptor: | (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, Z, McKeever, B.M. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimization of orally bioavailable alkyl amine renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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6POK
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![BU of 6pok by Molmil](/molmil-images/mine/6pok) | Crystal structure of the Robo3 FN2-3 domains | Descriptor: | GLYCEROL, Roundabout homolog 3 | Authors: | Wang, J, Pak, J.S, Ozkan, E. | Deposit date: | 2019-07-04 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | NELL2-Robo3 complex structure reveals mechanisms of receptor activation for axon guidance. Nat Commun, 11, 2020
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4Y3A
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![BU of 4y3a by Molmil](/molmil-images/mine/4y3a) | Endothiapepsin in complex with fragment 181 | Descriptor: | 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library To Be Published
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6PKK
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![BU of 6pkk by Molmil](/molmil-images/mine/6pkk) | MicroED structure of proteinase K from an uncoated, single lamella at 2.18A resolution (#5) | Descriptor: | Proteinase K | Authors: | Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. | Deposit date: | 2019-06-29 | Release date: | 2019-09-04 | Last modified: | 2019-12-18 | Method: | ELECTRON CRYSTALLOGRAPHY (2.176 Å) | Cite: | Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED. Structure, 27, 2019
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6PKP
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![BU of 6pkp by Molmil](/molmil-images/mine/6pkp) | MicroED structure of proteinase K from a platinum-coated, polished, single lamella at 1.91A resolution (#10) | Descriptor: | Proteinase K | Authors: | Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. | Deposit date: | 2019-06-29 | Release date: | 2019-09-04 | Last modified: | 2019-12-18 | Method: | ELECTRON CRYSTALLOGRAPHY (1.91 Å) | Cite: | Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED. Structure, 27, 2019
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3KM1
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![BU of 3km1 by Molmil](/molmil-images/mine/3km1) | ZINC-Reconstituted TOMATO CHLOROPLAST SUPEROXIDE DISMUTASE | Descriptor: | GLYCEROL, Superoxide dismutase [Cu-Zn], chloroplastic, ... | Authors: | Galaleldeen, A, Taylor, A.B, Thomas, S.T, Hart, P.J. | Deposit date: | 2009-11-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biophysical properties of tomato chloroplast sod To be Published
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3KMB
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6PMT
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![BU of 6pmt by Molmil](/molmil-images/mine/6pmt) | |
4XDE
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![BU of 4xde by Molmil](/molmil-images/mine/4xde) | Coagulation Factor XII protease domain crystal structure | Descriptor: | CITRATE ANION, Coagulation factor XII, ISOPROPYL ALCOHOL | Authors: | Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J. | Deposit date: | 2014-12-19 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Coagulation factor XII protease domain crystal structure. J.Thromb.Haemost., 13, 2015
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3KQG
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![BU of 3kqg by Molmil](/molmil-images/mine/3kqg) | Trimeric Structure of Langerin | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION | Authors: | Feinberg, H, Powlesland, A.S, Taylor, M.E, Weis, W.I. | Deposit date: | 2009-11-17 | Release date: | 2010-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Trimeric structure of langerin. J.Biol.Chem., 285, 2010
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3KR3
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![BU of 3kr3 by Molmil](/molmil-images/mine/3kr3) | Crystal structure of IGF-II antibody complex | Descriptor: | 1,2-ETHANEDIOL, Insulin-like growth factor II, antibody-Fab (heavy chain), ... | Authors: | Peat, T.S, Newman, J, Adams, T.E. | Deposit date: | 2009-11-17 | Release date: | 2010-06-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A human monoclonal antibody against insulin-like growth factor-II blocks the growth of human hepatocellular carcinoma cell lines in vitro and in vivo. Mol.Cancer Ther., 9, 2010
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