3PT9
 
 | | Crystal structure of mouse DNMT1(731-1602) in the free state | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Song, J, Patel, D.J. | | Deposit date: | 2010-12-02 | | Release date: | 2010-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of DNMT1-DNA complex reveals a role for autoinhibition in maintenance DNA methylation.
Science, 331, 2011
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3BBL
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3PU3
 | | PHF2 Jumonji domain-NOG complex | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-OXALYLGLYCINE, ... | | Authors: | Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X. | | Deposit date: | 2010-12-03 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
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1LZI
 | | Glycosyltransferase A + UDP + H antigen acceptor | | Descriptor: | Glycosyltransferase A, MANGANESE (II) ION, MERCURY (II) ION, ... | | Authors: | Patenaude, S.I, Seto, N.O.L, Borisova, S.N, Szpacenko, A, Marcus, S.L, Palcic, M.M, Evans, S.V. | | Deposit date: | 2002-06-10 | | Release date: | 2002-08-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The structural basis for specificity
in human ABO(H) blood group biosynthesis.
Nat.Struct.Biol., 9, 2002
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3PXJ
 | | Tandem Ig repeats of Dlar | | Descriptor: | Tyrosine-protein phosphatase Lar | | Authors: | Biersmith, B.H, Bouyain, S. | | Deposit date: | 2010-12-10 | | Release date: | 2011-03-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3003 Å) | | Cite: | The Immunoglobulin-like Domains 1 and 2 of the Protein Tyrosine Phosphatase LAR Adopt an Unusual Horseshoe-like Conformation.
J.Mol.Biol., 408, 2011
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5T9U
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 3) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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1BP1
 | | CRYSTAL STRUCTURE OF BPI, THE HUMAN BACTERICIDAL PERMEABILITY-INCREASING PROTEIN | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERICIDAL/PERMEABILITY-INCREASING PROTEIN | | Authors: | Beamer, L.J, Carroll, S.F, Eisenberg, D. | | Deposit date: | 1997-04-08 | | Release date: | 1997-09-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human BPI and two bound phospholipids at 2.4 angstrom resolution.
Science, 276, 1997
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1BXM
 | | ENGINEERED BETA-CRYPTOGEIN COMPLEXED WITH ERGOSTEROL | | Descriptor: | BETA-CRYPTOGEIN, ERGOSTEROL | | Authors: | Boissy, G, Brunie, S. | | Deposit date: | 1998-10-05 | | Release date: | 1999-06-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The 2.1 A structure of an elicitin-ergosterol complex: a recent addition to the Sterol Carrier Protein family.
Protein Sci., 8, 1999
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4GTE
 | | T. Maritima FDTS (E144R mutant) with FAD and Folate | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5QDE
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000740a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.764 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QDK
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000069a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [4-(1H-benzimidazol-1-yl)phenyl]methanol | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.555 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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2EC3
 | | Solution structure of the 11th FN1 domain from human Fibronectin 1 | | Descriptor: | Fibronectin | | Authors: | Sano, R, Hayashi, F, Izumi, K, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-02-09 | | Release date: | 2008-03-04 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the 11th FN1 domain from human Fibronectin 1
To be Published
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5QCT
 | | Crystal structure of BACE complex with BMC001 | | Descriptor: | (2R,4S)-N-butyl-4-[(4S,6R)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1, PHOSPHATE ION | | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-12-01 | | Release date: | 2020-06-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
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5QE9
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000232a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.692 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QEM
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000217b | | Descriptor: | 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.754 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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2NT0
 | | Acid-beta-glucosidase low pH, glycerol bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Glucosylceramidase, ... | | Authors: | Lieberman, R.L, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-11-06 | | Release date: | 2006-12-26 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.
Nat.Chem.Biol., 3, 2007
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1I5Q
 | | CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE MUTANT N152A COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM | | Descriptor: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, BETA-LACTAMASE | | Authors: | Trehan, I, Beadle, B.M, Shoichet, B.K. | | Deposit date: | 2001-02-28 | | Release date: | 2001-06-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Inhibition of AmpC beta-lactamase through a destabilizing interaction in the active site.
Biochemistry, 40, 2001
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2P2I
 | | Crystal structure of the VEGFR2 kinase domain in complex with a nicotinamide inhibitor | | Descriptor: | N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2007-03-07 | | Release date: | 2007-03-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
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4GR3
 | | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al pha-glutamine, ... | | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | | Deposit date: | 2012-08-24 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.494 Å) | | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
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3POR
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1X1V
 | | Structure Of Banana Lectin- Methyl-Alpha-Mannose Complex | | Descriptor: | HEXANE-1,6-DIOL, ZINC ION, lectin, ... | | Authors: | Singh, D.D, Saikrishnan, K, Kumar, P, Surolia, A, Sekar, K, Vijayan, M. | | Deposit date: | 2005-04-14 | | Release date: | 2005-11-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Unusual sugar specificity of banana lectin from Musa paradisiaca and its probable evolutionary origin. Crystallographic and modelling studies
Glycobiology, 15, 2005
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1QMN
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5T27
 | | mPI3Kd IN COMPLEX WITH 5d | | Descriptor: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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2YLK
 | | Carbohydrate-binding module CBM3b from the cellulosomal cellobiohydrolase 9A from Clostridium thermocellum | | Descriptor: | CELLULOSE 1,4-BETA-CELLOBIOSIDASE | | Authors: | Yaniv, O, Petkun, S, Shimon, L.J.W, Bayer, E.A, Lamed, R, Frolow, F. | | Deposit date: | 2011-06-02 | | Release date: | 2012-04-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Single Mutation Reforms the Binding Activity of an Adhesion-Deficient Family 3 Carbohydrate-Binding Module
Acta Crystallogr.,Sect.D, 68, 2012
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2YID
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis alpha- ketoglutarate decarboxylase in complex with the enamine-ThDP intermediate | | Descriptor: | (4E)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3H)-ylidene}-4-hydroxybutanoic acid, 2-OXOGLUTARATE DECARBOXYLASE, CALCIUM ION, ... | | Authors: | Wagner, T, Bellinzoni, M, Wehenkel, A.M, O'Hare, H.M, Alzari, P.M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-06-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Functional Plasticity and Allosteric Regulation of Alpha-Ketoglutarate Decarboxylase in Central Mycobacterial Metabolism.
Chem.Biol., 18, 2011
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