2Y6P
| Evidence for a Two-Metal-Ion-Mechanism in the Kdo- Cytidylyltransferase KdsB | Descriptor: | 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, BETA-MERCAPTOETHANOL, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Schmidt, H, Mesters, J.R, Mamat, U, Hilgenfeld, R. | Deposit date: | 2011-01-25 | Release date: | 2011-08-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evidence for a Two-Metal-Ion Mechanism in the Cytidyltransferase Kdsb, an Enzyme Involved in Lipopolysaccharide Biosynthesis. Plos One, 6, 2011
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3FDE
| Mouse UHRF1 SRA domain bound with hemi-methylated CpG DNA, crystal structure in space group C222(1) at 1.4 A resolution | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3', ... | Authors: | Hashimoto, H, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2008-11-25 | Release date: | 2009-01-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | UHRF1, a modular multi-domain protein, regulates replication-coupled crosstalk between DNA methylation and histone modifications. Epigenetics, 4, 2009
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2Y7X
| The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs | Descriptor: | 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2YZ4
| The neutron structure of concanavalin A at 2.2 Angstroms | Descriptor: | CALCIUM ION, Concanavalin A, MANGANESE (II) ION | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-05-02 | Release date: | 2008-02-05 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | The determination of protonation states in proteins. Acta Crystallogr.,Sect.D, 63, 2007
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2W6Q
| Crystal structure of Biotin carboxylase from E. coli in complex with the triazine-2,4-diamine fragment | Descriptor: | 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION | Authors: | Mochalkin, I, Miller, J.R. | Deposit date: | 2008-12-18 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
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2W71
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8PQL
| K48-linked ubiquitin chain formation with a cullin-RING E3 ligase and Cdc34: NEDD8-CUL2-RBX1-ELOB/C-FEM1C with trapped UBE2R2-donor UB-acceptor UB-SIL1 peptide | Descriptor: | 5-azanylpentan-2-one, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | Authors: | Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A. | Deposit date: | 2023-07-11 | Release date: | 2024-02-14 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Mechanism of millisecond Lys48-linked poly-ubiquitin chain formation by cullin-RING ligases. Nat.Struct.Mol.Biol., 31, 2024
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2WUV
| Crystallographic analysis of counter-ion effects on subtilisin enzymatic action in acetonitrile | Descriptor: | ACETONITRILE, CALCIUM ION, CESIUM ION, ... | Authors: | Cianci, M, Tomaszewki, B, Helliwell, J.R, Halling, P.J. | Deposit date: | 2009-10-09 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Crystallographic Analysis of Counterion Effects on Subtilisin Enzymatic Action in Acetonitrile. J.Am.Chem.Soc., 132, 2010
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2YPN
| Hydroxymethylbilane synthase | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, PROTEIN (HYDROXYMETHYLBILANE SYNTHASE) | Authors: | Nieh, Y.P, Raftery, J, Weisgerber, S, Habash, J, Schotte, F, Ursby, T, Wulff, M, Haedener, A, Campbell, J.W, Hao, Q, Helliwell, J.R. | Deposit date: | 1999-01-11 | Release date: | 1999-02-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Accurate and highly complete synchrotron protein crystal Laue diffraction data using the ESRF CCD and the Daresbury Laue software J.Synchrotron Radiat., 6, 1999
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2VOV
| An oxidized tryptophan facilitates copper-binding in Methylococcus capsulatus secreted protein MopE. The structure of wild-type MopE to 1.35AA | Descriptor: | CALCIUM ION, COPPER (II) ION, SURFACE-ASSOCIATED PROTEIN | Authors: | Helland, R, Fjellbirkeland, A, Karlsen, O.A, Ve, T, Lillehaug, J.R, Jensen, H.B. | Deposit date: | 2008-02-22 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | An Oxidized Tryptophan Facilitates Copper Binding in Methylococcus Capsulatus-Secreted Protein Mope. J.Biol.Chem., 283, 2008
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2W6N
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2VYQ
| FERREDOXIN:NADP REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY, ALA 160 REPLACED BY THR, LEU 263 REPLACED BY PRO AND TYR 303 REPLACED BY SER (T155G-A160T-L263P-Y303S) | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Peregrina, J.R, Medina, M. | Deposit date: | 2008-07-28 | Release date: | 2009-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein Motifs Involved in Coenzyme Interaction and Enzymatic Efficiency in Anabaena Ferredoxin-Nadp+ Reductase. Biochemistry, 48, 2009
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2WYG
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2009-11-16 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
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2XL3
| WDR5 IN COMPLEX WITH AN RBBP5 PEPTIDE AND HISTONE H3 PEPTIDE | Descriptor: | GLYCEROL, HISTONE H3.1, RETINOBLASTOMA-BINDING PROTEIN 5, ... | Authors: | Odho, Z, Southall, S.M, Wilson, J.R. | Deposit date: | 2010-07-19 | Release date: | 2010-08-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterisation of a Novel Wdr5 Binding Site that Recruits Rbbp5 Through a Conserved Motif and Enhances Methylation of H3K4 by Mll1. J.Biol.Chem., 285, 2010
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2X62
| CRYSTAL STRUCTURE OF THE SIALYLTRANSFERASE CST-II Y81F IN COMPLEX WITH CMP | Descriptor: | 1,2-ETHANEDIOL, ALPHA-2,3-/2,8-SIALYLTRANSFERASE, N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE | Authors: | Lee, H.J, Lairson, L.L, Rich, J.R, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | Deposit date: | 2010-02-14 | Release date: | 2011-02-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Kinetic Analysis of Substrate Binding to the Sialyltransferase Cst-II from Campylobacter Jejuni. J.Biol.Chem., 286, 2011
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2WYJ
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2009-11-16 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
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8SA2
| Adenosylcobalamin-bound riboswitch dimer, form 1 | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 1 | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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8SA4
| Adenosylcobalamin-bound riboswitch dimer, form 3 | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 3 | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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8S9M
| DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga | Descriptor: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-03-29 | Release date: | 2023-08-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga. J.Biol.Chem., 299, 2023
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8SA3
| Adenosylcobalamin-bound riboswitch dimer, form 2 | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 2 | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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8SA6
| apo form of adenosylcobalamin riboswitch dimer | Descriptor: | apo form of adenosylcobalamin riboswitch dimer | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (5.3 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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8SA5
| Adenosylcobalamin-bound riboswitch dimer, form 4 | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 4 | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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8SSQ
| ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 35mer DNA 35-4 | Descriptor: | DNA (35-MER) Strand 2, DNA (35-MER) Strand I, SODIUM ION, ... | Authors: | Horton, J.R, Yang, J, Cheng, X. | Deposit date: | 2023-05-08 | Release date: | 2023-08-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structures of CTCF-DNA complexes including all 11 zinc fingers. Nucleic Acids Res., 51, 2023
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8SSR
| ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 35mer DNA 35-20 | Descriptor: | DNA (35-MER) Strand I, DNA (35-MER) Strand II, SODIUM ION, ... | Authors: | Horton, J.R, Yang, J, Cheng, X. | Deposit date: | 2023-05-08 | Release date: | 2023-08-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Structures of CTCF-DNA complexes including all 11 zinc fingers. Nucleic Acids Res., 51, 2023
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8S9N
| DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form | Descriptor: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-03-29 | Release date: | 2023-08-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga. J.Biol.Chem., 299, 2023
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