5DUN
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![BU of 5dun by Molmil](/molmil-images/mine/5dun) | The crystal structure of OMe substituted twister ribozyme | Descriptor: | MAGNESIUM ION, POTASSIUM ION, RNA (54-MER) | Authors: | Ren, A, Patel, D.J, Micura, R, Rajashankar, K.R. | Deposit date: | 2015-09-19 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | A Mini-Twister Variant and Impact of Residues/Cations on the Phosphodiester Cleavage of this Ribozyme Class. Angew.Chem.Int.Ed.Engl., 54, 2015
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6LCW
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![BU of 6lcw by Molmil](/molmil-images/mine/6lcw) | Crosslinked alpha(Ni)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Dark | Descriptor: | BUT-2-ENEDIAL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-11-20 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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5VYS
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![BU of 5vys by Molmil](/molmil-images/mine/5vys) | Crystal structure of the WbkC N-formyltransferase (C47S variant) from Brucella melitensis | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M. | Deposit date: | 2017-05-26 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis. Biochemistry, 56, 2017
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3L0B
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![BU of 3l0b by Molmil](/molmil-images/mine/3l0b) | Crystal structure of SCP1 phosphatase D206A mutant phosphoryl-intermediate | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION | Authors: | Zhang, M, Zhang, Y. | Deposit date: | 2009-12-09 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and functional analysis of the phosphoryl transfer reaction mediated by the human small C-terminal domain phosphatase, Scp1. Protein Sci., 19, 2010
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3L0Y
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![BU of 3l0y by Molmil](/molmil-images/mine/3l0y) | Crystal structure OF SCP1 phosphatase D98A mutant | Descriptor: | Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION | Authors: | Zhang, M, Zhang, Y. | Deposit date: | 2009-12-10 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional analysis of the phosphoryl transfer reaction mediated by the human small C-terminal domain phosphatase, Scp1. Protein Sci., 19, 2010
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4CJ1
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![BU of 4cj1 by Molmil](/molmil-images/mine/4cj1) | Crystal structure of CelD in complex with affitin H3 | Descriptor: | CALCIUM ION, ENDOGLUCANASE D, GLYCEROL, ... | Authors: | Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. | Deposit date: | 2013-12-18 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins) Plos One, 9, 2014
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4CJ0
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![BU of 4cj0 by Molmil](/molmil-images/mine/4cj0) | Crystal structure of CelD in complex with affitin E12 | Descriptor: | CALCIUM ION, E12 AFFITIN, ENDOGLUCANASE D, ... | Authors: | Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. | Deposit date: | 2013-12-18 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins) Plos One, 9, 2014
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6L5Y
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![BU of 6l5y by Molmil](/molmil-images/mine/6l5y) | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Light (2 min) | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-10-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6L5W
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![BU of 6l5w by Molmil](/molmil-images/mine/6l5w) | Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Light (2 min) | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-10-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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4CFN
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![BU of 4cfn by Molmil](/molmil-images/mine/4cfn) | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine, CYCLIN-A2, ... | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | Deposit date: | 2013-11-19 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
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8C6G
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![BU of 8c6g by Molmil](/molmil-images/mine/8c6g) | |
8C68
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![BU of 8c68 by Molmil](/molmil-images/mine/8c68) | |
8CIW
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![BU of 8ciw by Molmil](/molmil-images/mine/8ciw) | Methylsuccinyl-CoA dehydrogenase from Pseudomonas migulae with bound FAD and (2S)-methylsuccinyl-CoA | Descriptor: | (2S)-Methylsuccinyl-CoA, (2S)-methylsuccinyl-CoA dehydrogenase, CITRATE ANION, ... | Authors: | Zarzycki, J, McLean, R, Erb, T.J. | Deposit date: | 2023-02-10 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Exploring alternative pathways for the in vitro establishment of the HOPAC cycle for synthetic CO 2 fixation. Sci Adv, 9, 2023
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8C6E
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![BU of 8c6e by Molmil](/molmil-images/mine/8c6e) | |
8COY
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![BU of 8coy by Molmil](/molmil-images/mine/8coy) | Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) in complex with inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | Authors: | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | Deposit date: | 2023-03-01 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.507 Å) | Cite: | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor. Acta Crystallogr D Struct Biol, 79, 2023
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8CP0
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![BU of 8cp0 by Molmil](/molmil-images/mine/8cp0) | Structure of the catalytic domain of P. vivax Sub1 (trigonal crystal form) | Descriptor: | CALCIUM ION, subtilisin | Authors: | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | Deposit date: | 2023-03-01 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.251 Å) | Cite: | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor. Acta Crystallogr D Struct Biol, 79, 2023
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8COZ
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![BU of 8coz by Molmil](/molmil-images/mine/8coz) | Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | Authors: | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | Deposit date: | 2023-03-01 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.438 Å) | Cite: | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor. Acta Crystallogr D Struct Biol, 79, 2023
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8C5H
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8C3U
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![BU of 8c3u by Molmil](/molmil-images/mine/8c3u) | Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist | Descriptor: | (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta | Authors: | Rondeau, J.-M, Lehmann, S, Koch, E. | Deposit date: | 2022-12-28 | Release date: | 2023-09-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta. Nat Commun, 14, 2023
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1JFI
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![BU of 1jfi by Molmil](/molmil-images/mine/1jfi) | Crystal Structure of the NC2-TBP-DNA Ternary Complex | Descriptor: | 5'-D(*G*GP*AP*GP*CP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*CP*CP*AP*A)-3', 5'-D(*TP*TP*GP*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*GP*CP*TP*CP*C)-3', TATA-BOX-BINDING PROTEIN (TBP), ... | Authors: | Kamada, K, Shu, F, Chen, H, Malik, S, Stelzer, G, Roeder, R.G, Meisterernst, M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2001-06-20 | Release date: | 2001-07-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Crystal structure of negative cofactor 2 recognizing the TBP-DNA transcription complex. Cell(Cambridge,Mass.), 106, 2001
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1K3R
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![BU of 1k3r by Molmil](/molmil-images/mine/1k3r) | Crystal Structure of the Methyltransferase with a Knot from Methanobacterium thermoautotrophicum | Descriptor: | conserved protein MT0001 | Authors: | Zarembinski, T.I, Kim, Y, Peterson, K, Christendat, D, Dharamsi, A, Arrowsmith, C.H, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2001-10-03 | Release date: | 2002-05-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Deep trefoil knot implicated in RNA binding found in an archaebacterial protein. Proteins, 50, 2003
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3R84
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![BU of 3r84 by Molmil](/molmil-images/mine/3r84) | Structure of the Mediator head subcomplex Med11/22 | Descriptor: | Mediator of RNA polymerase II transcription subunit 11, Mediator of RNA polymerase II transcription subunit 22 | Authors: | Seizl, M, Lariviere, L, Pfaffenender, T, Wenzeck, L, Cramer, P. | Deposit date: | 2011-03-23 | Release date: | 2011-04-27 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Mediator head subcomplex Med11/22 contains a common helix bundle building block with a specific function in transcription initiation complex stabilization. Nucleic Acids Res., 39, 2011
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1UCD
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![BU of 1ucd by Molmil](/molmil-images/mine/1ucd) | Crystal structure of Ribonuclease MC1 from bitter gourd seeds complexed with 5'-UMP | Descriptor: | Ribonuclease MC, URACIL, URIDINE-5'-MONOPHOSPHATE | Authors: | Suzuki, A, Numata, T, Yao, M, Kimura, M, Tanaka, I. | Deposit date: | 2003-04-10 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of RNase MC1 from bitter gourd seeds in complex with 5'UMP To be published
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4NQW
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8SZS
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![BU of 8szs by Molmil](/molmil-images/mine/8szs) | Cat DHX9 bound to GDP | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A. | Deposit date: | 2023-05-30 | Release date: | 2023-09-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Development of assays to support identification and characterization of modulators of DExH-box helicase DHX9. Slas Discov, 28, 2023
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