3ZYS
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![BU of 3zys by Molmil](/molmil-images/mine/3zys) | Human dynamin 1 deltaPRD polymer stabilized with GMPPCP | Descriptor: | DYNAMIN-1, INTERFERON-INDUCED GTP-BINDING PROTEIN MX1 | Authors: | Chappie, J.S, Mears, J.A, Fang, S, Leonard, M, Schmid, S.L, Milligan, R.A, Hinshaw, J.E, Dyda, F. | Deposit date: | 2011-08-24 | Release date: | 2011-10-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (12.2 Å) | Cite: | A Pseudoatomic Model of the Dynamin Polymer Identifies a Hydrolysis-Dependent Powerstroke. Cell(Cambridge,Mass.), 147, 2011
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3ZYC
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![BU of 3zyc by Molmil](/molmil-images/mine/3zyc) | DYNAMIN 1 GTPASE GED FUSION DIMER COMPLEXED WITH GMPPCP | Descriptor: | DYNAMIN-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Chappie, J.S, Mears, J.A, Fang, S, Leonard, M, Schmid, S.L, Milligan, R.A, Hinshaw, J.E, Dyda, F. | Deposit date: | 2011-08-22 | Release date: | 2011-10-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Pseudoatomic Model of the Dynamin Polymer Identifies a Hydrolysis-Dependent Powerstroke. Cell(Cambridge,Mass.), 147, 2011
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2X2F
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![BU of 2x2f by Molmil](/molmil-images/mine/2x2f) | Dynamin 1 GTPase dimer, short axis form | Descriptor: | DYNAMIN-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Chappie, J.S, Acharya, S, Leonard, M, Schmid, S.L, Dyda, F. | Deposit date: | 2010-01-13 | Release date: | 2010-04-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | G Domain Dimerization Controls Dynamin'S Assembly-Stimulated Gtpase Activity. Nature, 465, 2010
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2X2E
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![BU of 2x2e by Molmil](/molmil-images/mine/2x2e) | Dynamin GTPase dimer, long axis form | Descriptor: | DYNAMIN-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Chappie, J.S, Acharya, S, Leonard, M, Schmid, S.L, Dyda, F. | Deposit date: | 2010-01-12 | Release date: | 2010-04-28 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | G Domain Dimerization Controls Dynamin'S Assembly-Stimulated Gtpase Activity. Nature, 465, 2010
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6P74
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![BU of 6p74 by Molmil](/molmil-images/mine/6p74) | OLD nuclease from Thermus Scotoductus | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PLATINUM (II) ION, Putative ATP-dependent endonuclease of the OLD family, ... | Authors: | Chappie, J.S, Schiltz, C.J. | Deposit date: | 2019-06-04 | Release date: | 2020-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The full-length structure of Thermus scotoductus OLD defines the ATP hydrolysis properties and catalytic mechanism of Class 1 OLD family nucleases. Nucleic Acids Res., 48, 2020
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4UUD
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![BU of 4uud by Molmil](/molmil-images/mine/4uud) | Human dynamin 1 K44A superconstricted polymer stabilized with GTP | Descriptor: | DYNAMIN-1 | Authors: | Sundborger, A.C, Fang, S, Heymann, J.A, Ray, P, Chappie, J.S, Hinshaw, J.E. | Deposit date: | 2014-07-25 | Release date: | 2014-08-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (12.5 Å) | Cite: | A Dynamin Mutant Defines a Superconstricted Prefission State. Cell Rep., 8, 2014
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5UIU
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![BU of 5uiu by Molmil](/molmil-images/mine/5uiu) | Crystal structure of IRAK4 in complex with compound 30 | Descriptor: | 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Chang, J.S. | Deposit date: | 2017-01-14 | Release date: | 2017-05-24 | Last modified: | 2017-07-26 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J. Med. Chem., 60, 2017
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5K5N
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![BU of 5k5n by Molmil](/molmil-images/mine/5k5n) | Crystal structure of GSK-3beta complexed with PF-04802367, a highly selective brain-penetrant kinase inhibitor | Descriptor: | 5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide, Glycogen synthase kinase-3 beta, SULFATE ION | Authors: | Kurumbail, R.G, Chang, J.S. | Deposit date: | 2016-05-23 | Release date: | 2016-09-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a Highly Selective Glycogen Synthase Kinase-3 Inhibitor (PF-04802367) That Modulates Tau Phosphorylation in the Brain: Translation for PET Neuroimaging. Angew.Chem.Int.Ed.Engl., 55, 2016
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1TDT
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![BU of 1tdt by Molmil](/molmil-images/mine/1tdt) | |
2W7Z
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![BU of 2w7z by Molmil](/molmil-images/mine/2w7z) | Structure of the pentapeptide repeat protein EfsQnr, a DNA gyrase inhibitor. Free amines modified by cyclic pentylation with glutaraldehyde. | Descriptor: | CHLORIDE ION, PENTAPEPTIDE REPEAT FAMILY PROTEIN | Authors: | Vetting, M.W, Hegde, S.S, Blanchard, J.S. | Deposit date: | 2009-01-06 | Release date: | 2009-05-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallization of a Pentapeptide-Repeat Protein by Reductive Cyclic Pentylation of Free Amines with Glutaraldehyde. Acta Crystallogr.,Sect.D, 65, 2009
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2VQY
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![BU of 2vqy by Molmil](/molmil-images/mine/2vqy) | Structure of AAC(6')-Ib in complex with Parmomycin and AcetylCoA. | Descriptor: | AAC(6')-IB, ACETYL COENZYME *A, CALCIUM ION, ... | Authors: | Vetting, M.W, Park, C.H, Hedge, S.S, Hooper, D.C, Blanchard, J.S. | Deposit date: | 2008-03-20 | Release date: | 2008-09-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanistic and Structural Analysis of Aminoglycoside N-Acetyltransferase Aac(6')-Ib and its Bifunctional, Fluoroquinolone-Active Aac(6')-Ib-Cr Variant. Biochemistry, 47, 2008
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2I8C
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![BU of 2i8c by Molmil](/molmil-images/mine/2i8c) | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine-D-alanine ligase, MAGNESIUM ION, ... | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R. | Deposit date: | 2006-09-01 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2I80
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![BU of 2i80 by Molmil](/molmil-images/mine/2i80) | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | Descriptor: | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE, D-alanine-D-alanine ligase | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M.-M, Tomich, P.K, Lin, A.H, Marotti, K.R. | Deposit date: | 2006-08-31 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies. Proc.Natl.Acad.Sci.Usa, 103, 2006
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5Y86
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![BU of 5y86 by Molmil](/molmil-images/mine/5y86) | Crystal structure of kinase | Descriptor: | 1,2-ETHANEDIOL, 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE, Dual specificity tyrosine-phosphorylation-regulated kinase 3, ... | Authors: | Kim, K.L, Cha, J.S, Cho, Y.S, Kim, H.Y, Chang, N.P, Cho, H.S. | Deposit date: | 2017-08-18 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Dual-Specificity Tyrosine-Regulated Kinase 3 Reveals New Structural Features and Insights into its Auto-phosphorylation J. Mol. Biol., 430, 2018
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7E5B
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![BU of 7e5b by Molmil](/molmil-images/mine/7e5b) | Crystal structure of ASC PYD Domain and Rb-B7 | Descriptor: | Apoptosis-associated speck-like protein containing a CARD, GLYCEROL, Repebody (Rb-B7) | Authors: | Cho, H.S, Cha, J.S. | Deposit date: | 2021-02-18 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Oligomeric states of ASC specks regulate inflammatory responses by inflammasome in the extracellular space. Cell Death Discov, 9, 2023
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4V9D
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![BU of 4v9d by Molmil](/molmil-images/mine/4v9d) | Structures of the bacterial ribosome in classical and hybrid states of tRNA binding | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Dunkle, J.A, Wang, L, Feldman, M.B, Pulk, A, Chen, V.B, Kapral, G.J, Noeske, J, Richardson, J.S, Blanchard, S.C, Cate, J.H.D. | Deposit date: | 2012-07-31 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the bacterial ribosome in classical and hybrid states of tRNA binding. Science, 332, 2011
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6KF4
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![BU of 6kf4 by Molmil](/molmil-images/mine/6kf4) | Cryo-EM structure of Thermococcus kodakarensis RNA polymerase | Descriptor: | DNA-directed RNA polymerase subunit, DNA-directed RNA polymerase subunit A'', DNA-directed RNA polymerase subunit D, ... | Authors: | Jun, S.-H, Hyun, J, Jeong, H, Cha, J.S, Kim, H, Bartlett, M.S, Cho, H.-S, Murakami, K.S. | Deposit date: | 2019-07-06 | Release date: | 2020-07-01 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Direct binding of TFE alpha opens DNA binding cleft of RNA polymerase. Nat Commun, 11, 2020
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6LBX
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![BU of 6lbx by Molmil](/molmil-images/mine/6lbx) | Crystal structure of HER2 Domain IV and Rb-H2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-2, Repebody (Rb-H2) | Authors: | Cho, H.S, Cha, J.S. | Deposit date: | 2019-11-15 | Release date: | 2020-11-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Computationally-guided design and affinity improvement of a protein binder targeting a specific site on HER2 Comput Struct Biotechnol J, 19, 2021
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6KF9
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![BU of 6kf9 by Molmil](/molmil-images/mine/6kf9) | Cryo-EM structure of Thermococcus kodakarensis RNA polymerase | Descriptor: | DNA (27-MER), DNA (5'-D(P*TP*CP*GP*GP*TP*AP*AP*TP*CP*AP*CP*GP*CP*TP*CP*C)-3'), DNA-directed RNA polymerase subunit, ... | Authors: | Jun, S.-H, Hyun, J, Jeong, H, Cha, J.S, Kim, H, Bartlett, M.S, Cho, H.-S, Murakami, K.S. | Deposit date: | 2019-07-07 | Release date: | 2020-07-01 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.79 Å) | Cite: | Direct binding of TFE alpha opens DNA binding cleft of RNA polymerase. Nat Commun, 11, 2020
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6KF3
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![BU of 6kf3 by Molmil](/molmil-images/mine/6kf3) | Cryo-EM structure of Thermococcus kodakarensis RNA polymerase | Descriptor: | DNA-directed RNA polymerase subunit, DNA-directed RNA polymerase subunit A'', DNA-directed RNA polymerase subunit D, ... | Authors: | Jun, S.-H, Hyun, J, Jeong, H, Cha, J.S, Kim, H, Bartlett, M.S, Cho, H.-S, Murakami, K.S. | Deposit date: | 2019-07-06 | Release date: | 2020-07-01 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Direct binding of TFE alpha opens DNA binding cleft of RNA polymerase. Nat Commun, 11, 2020
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4UUK
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![BU of 4uuk by Molmil](/molmil-images/mine/4uuk) | Human dynamin 1 K44A superconstricted polymer stabilized with GTP strand 2 | Descriptor: | DYNAMIN-1 | Authors: | Sundborger, A.C, Fang, S, Heymann, J.A, Ray, P, Chappie, J.S, Hinshaw, J.E. | Deposit date: | 2014-07-29 | Release date: | 2014-08-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (12.5 Å) | Cite: | A Dynamin Mutant Defines a Superconstricted Prefission State. Cell Rep., 8, 2014
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6AE3
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![BU of 6ae3 by Molmil](/molmil-images/mine/6ae3) | Crystal structure of GSK3beta complexed with Morin | Descriptor: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, GLYCEROL, Glycogen synthase kinase-3 beta | Authors: | Kim, K.L, Cha, J.S, Kim, J.S, Ahn, J.S, Ha, N.C, Cho, H.S. | Deposit date: | 2018-08-03 | Release date: | 2018-09-19 | Last modified: | 2018-10-03 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of GSK3 beta in complex with the flavonoid, morin Biochem. Biophys. Res. Commun., 504, 2018
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5G54
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![BU of 5g54 by Molmil](/molmil-images/mine/5g54) | The crystal structure of light-driven chloride pump ClR at pH 4.5 | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | Deposit date: | 2016-05-19 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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5G28
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![BU of 5g28 by Molmil](/molmil-images/mine/5g28) | The crystal structure of light-driven chloride pump ClR at pH 6.0. | Descriptor: | CHLORIDE ION, CHLORIDE PUMPING RHODOPSIN, OLEIC ACID, ... | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | Deposit date: | 2016-04-07 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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5G2D
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![BU of 5g2d by Molmil](/molmil-images/mine/5g2d) | The crystal structure of light-driven chloride pump ClR (T102N) mutant at pH 4.5. | Descriptor: | CHLORIDE ION, CHLORIDE PUMP RHODOPSIN, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | Deposit date: | 2016-04-07 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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