2YAK
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![BU of 2yak by Molmil](/molmil-images/mine/2yak) | Structure of death-associated protein Kinase 1 (dapk1) in complex with a ruthenium octasporine ligand (OSV) | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4 | Authors: | Feng, L, Geisselbrecht, Y, Blanck, S, Wilbuer, A, Atilla-Gokcumen, G.E, Filippakopoulos, P, Kraeling, K, Celik, M.A, Harms, K, Maksimoska, J, Marmorstein, R, Frenking, G, Knapp, S, Essen, L.-O, Meggers, E. | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors. J.Am.Chem.Soc., 133, 2011
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2X6X
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![BU of 2x6x by Molmil](/molmil-images/mine/2x6x) | Tailspike protein mutant D339N of E.coli bacteriophage HK620 in complex with hexasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TAILSPIKE PROTEIN HK620, alpha-L-rhamnopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)]alpha-D-galactopyranose | Authors: | Lorenzen, N.K, Mueller, J.J, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2010-02-22 | Release date: | 2011-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity. Glycobiology, 23, 2013
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5MP1
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1Q67
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![BU of 1q67 by Molmil](/molmil-images/mine/1q67) | Crystal structure of Dcp1p | Descriptor: | Decapping protein involved in mRNA degradation-Dcp1p | Authors: | She, M, Decker, C.J, Liu, Y, Chen, N, Parker, R, Song, H. | Deposit date: | 2003-08-12 | Release date: | 2004-03-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Dcp1p and its functional implications in mRNA decapping Nat.Struct.Mol.Biol., 11, 2004
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5MTL
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![BU of 5mtl by Molmil](/molmil-images/mine/5mtl) | Crystal structure of an amyloidogenic light chain | Descriptor: | light chain dimer,IGL@ protein,IGL@ protein | Authors: | Oberti, L, Rognoni, P, Russo, R, Bacarizo, J, Bolognesi, M, Ricagno, S. | Deposit date: | 2017-01-10 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
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5MWJ
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![BU of 5mwj by Molmil](/molmil-images/mine/5mwj) | Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1 | Descriptor: | DIMETHYL SULFOXIDE, Transducin-like enhancer protein 1, pepide inhibtor | Authors: | McGrath, S, Tortorici, M, Vidler, L, Drouin, L, Westwood, I, Gimeson, P, Van Montfort, R, Hoelder, S. | Deposit date: | 2017-01-18 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure-Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1. Chemistry, 23, 2017
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5MUQ
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![BU of 5muq by Molmil](/molmil-images/mine/5muq) | Crystal structure of DC8E8 Fab at pH 7.0 containing a Zn atom | Descriptor: | IMIDAZOLE, ZINC ION, antibody Fab heavy chain, ... | Authors: | Skrabana, R, Novak, M, Cehlar, O, Kontsekova, E. | Deposit date: | 2017-01-13 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Crystal structure of DC8E8 Fab at pH 7.0 containing a Zn atom To be published
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5MXD
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![BU of 5mxd by Molmil](/molmil-images/mine/5mxd) | BACE-1 IN COMPLEX WITH LIGAND 32397778 | Descriptor: | Beta-secretase 1, CHLORIDE ION, ~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine | Authors: | Alexander, R. | Deposit date: | 2017-01-23 | Release date: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Human Beta Secretase 1 In Complex With Ligand 32397778 to be published
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1PVW
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![BU of 1pvw by Molmil](/molmil-images/mine/1pvw) | 3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2003-06-29 | Release date: | 2003-11-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in
Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE
CATALYTIC MECHANISM J.Biol.Chem., 278, 2003
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2RQF
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![BU of 2rqf by Molmil](/molmil-images/mine/2rqf) | Solution structure of juvenile hormone binding protein from silkworm in complex with JH III | Descriptor: | Hemolymph juvenile hormone binding protein, methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate | Authors: | Suzuki, R, Fujimoto, Z, Shiotsuki, T, Momma, M, Tase, A, Yamazaki, T. | Deposit date: | 2009-04-27 | Release date: | 2010-05-05 | Last modified: | 2013-06-19 | Method: | SOLUTION NMR | Cite: | Structural mechanism of JH delivery in hemolymph by JHBP of silkworm, Bombyx mori Sci Rep, 1, 2011
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5M9D
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![BU of 5m9d by Molmil](/molmil-images/mine/5m9d) | |
5N19
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5MZ5
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![BU of 5mz5 by Molmil](/molmil-images/mine/5mz5) | Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in its apoform | Descriptor: | 1,2-ETHANEDIOL, ALDH21), DI(HYDROXYETHYL)ETHER, ... | Authors: | Kopecny, D, Koncitikova, R, Briozzo, P, Morera, S. | Deposit date: | 2017-01-30 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase. Plant J., 92, 2017
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3B6N
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![BU of 3b6n by Molmil](/molmil-images/mine/3b6n) | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase PV003920 from Plasmodium vivax | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-29 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase PV003920 from Plasmodium vivax. To be Published
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3B6U
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![BU of 3b6u by Molmil](/molmil-images/mine/3b6u) | Crystal structure of the motor domain of human kinesin family member 3B in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF3B, MAGNESIUM ION, ... | Authors: | Zhu, H, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-29 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Motor domain of human kinesin family member 3B in complex with ADP. To be Published
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1PVY
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![BU of 1pvy by Molmil](/molmil-images/mine/1pvy) | 3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii in complex with ribulose 5-phosphate | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, RIBULOSE-5-PHOSPHATE, ... | Authors: | Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2003-06-29 | Release date: | 2003-11-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in
Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE
CATALYTIC MECHANISM J.Biol.Chem., 278, 2003
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1Q62
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![BU of 1q62 by Molmil](/molmil-images/mine/1q62) | PKA double mutant model of PKB | Descriptor: | cAMP-dependent protein kinase inhibitor, alpha form, cAMP-dependent protein kinase, ... | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | Deposit date: | 2003-08-12 | Release date: | 2003-09-30 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT) J.Mol.Biol., 329, 2003
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5NHG
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![BU of 5nhg by Molmil](/molmil-images/mine/5nhg) | Crystal structure of the human dihydrolipoamide dehydrogenase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ... | Authors: | Szabo, E, Mizsei, R, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | Deposit date: | 2017-03-21 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase. Free Radic. Biol. Med., 124, 2018
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1PPI
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![BU of 1ppi by Molmil](/molmil-images/mine/1ppi) | THE ACTIVE CENTER OF A MAMMALIAN ALPHA-AMYLASE. THE STRUCTURE OF THE COMPLEX OF A PANCREATIC ALPHA-AMYLASE WITH A CARBOHYDRATE INHIBITOR REFINED TO 2.2 ANGSTROMS RESOLUTION | Descriptor: | 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-beta-D-glucopyranose, ALPHA-AMYLASE, CALCIUM ION, ... | Authors: | Qian, M, Haser, R, Payan, F. | Deposit date: | 1994-02-22 | Release date: | 1995-05-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The active center of a mammalian alpha-amylase. Structure of the complex of a pancreatic alpha-amylase with a carbohydrate inhibitor refined to 2.2-A resolution. Biochemistry, 33, 1994
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5NM9
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![BU of 5nm9 by Molmil](/molmil-images/mine/5nm9) | Crystal structure of the placozoa Trichoplax adhaerens Smad4-MH1 bound to the GGCGC site. | Descriptor: | DNA (5'-D(P*AP*TP*GP*CP*GP*GP*GP*CP*GP*CP*GP*CP*CP*CP*GP*CP*AP*T)-3'), Mothers against decapentaplegic homolog, ZINC ION | Authors: | Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J. | Deposit date: | 2017-04-05 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors. Nat Commun, 8, 2017
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5NN8
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![BU of 5nn8 by Molmil](/molmil-images/mine/5nn8) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with acarbose | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | Deposit date: | 2017-04-08 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease. Nat Commun, 8, 2017
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5NDY
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4NOF
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![BU of 4nof by Molmil](/molmil-images/mine/4nof) | Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Polymeric immunoglobulin receptor | Authors: | Sampathkumar, P, Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-11-19 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor to be published
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5NDX
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![BU of 5ndx by Molmil](/molmil-images/mine/5ndx) | The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent: Crystallography and QM/MM insights into Mucopolysaccharidosis I | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid, Glycosyl hydrolase, SULFATE ION | Authors: | Raich, L, Valero-Gonzalez, J, Castro-Lopez, J, Millan, C, Jimenez-Garcia, M.J, Nieto, P, Uson, I, Hurtado-Guerrero, R, Rovira, C. | Deposit date: | 2017-03-09 | Release date: | 2018-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent:
Crystallography and QM/MM insights into Mucopolysaccharidosis I. To Be Published
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5N5H
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![BU of 5n5h by Molmil](/molmil-images/mine/5n5h) | Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Salimraj, R, Hinchliffe, P, Spencer, J. | Deposit date: | 2017-02-14 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases. FEBS J., 286, 2019
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