1KH0
 
 | | Accurate Computer Base Design of a New Backbone Conformation in the Second Turn of Protein L | | Descriptor: | protein L | | Authors: | O'Neill, J.W, Kuhlman, B, Kim, D.E, Zhang, K.Y, Baker, D. | | Deposit date: | 2001-11-28 | | Release date: | 2002-01-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Accurate computer-based design of a new backbone conformation in the second turn of protein L.
J.Mol.Biol., 315, 2002
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2FCA
 | | The structure of BsTrmB | | Descriptor: | POTASSIUM ION, tRNA (guanine-N(7)-)-methyltransferase | | Authors: | Zegers, I, Van Vliet, F, Bujnicki, J, Kosinski, J, Gigot, D, Droogmans, L. | | Deposit date: | 2005-12-12 | | Release date: | 2006-08-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of Bacillus subtilis TrmB, the tRNA (m7G46) methyltransferase.
Nucleic Acids Res., 34, 2006
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4H2F
 | | Human ecto-5'-nucleotidase (CD73): crystal form I (open) in complex with adenosine | | Descriptor: | 5'-nucleotidase, ADENOSINE, CALCIUM ION, ... | | Authors: | Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J. | | Deposit date: | 2012-09-12 | | Release date: | 2012-11-28 | | Last modified: | 2014-10-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
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2FCJ
 | | Structure of small TOPRIM domain protein from Bacillus stearothermophilus. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, SULFATE ION, ... | | Authors: | Rezacova, P, Chen, Y, Borek, D, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-12-12 | | Release date: | 2006-01-24 | | Last modified: | 2012-10-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure and putative function of small Toprim domain-containing protein from Bacillus stearothermophilus.
Proteins, 70, 2008
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4H2R
 | | Structure of MHPCO Y270F mutant, 5-hydroxynicotinic acid complex | | Descriptor: | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-hydroxypyridine-3-carboxylic acid, BETA-MERCAPTOETHANOL, ... | | Authors: | Kobayashi, J, Yoshida, H, Mikami, B, Hayashi, H, Kamitori, S, Yagi, T. | | Deposit date: | 2012-09-13 | | Release date: | 2013-09-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.473 Å) | | Cite: | Crystal structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
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2EUG
 | | CRYSTAL STRUCTURE OF ESCHERICHIA COLI URACIL DNA GLYCOSYLASE AND ITS COMPLEXES WITH URACIL AND GLYCEROL: STRUCTURE AND GLYCOSYLASE MECHANISM REVISITED | | Descriptor: | PROTEIN (GLYCOSYLASE), URACIL | | Authors: | Xiao, G, Tordova, M, Jagadeesh, J, Drohat, A.C, Stivers, J.T, Gilliland, G.L. | | Deposit date: | 1998-10-13 | | Release date: | 1999-10-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of Escherichia coli uracil DNA glycosylase and its complexes with uracil and glycerol: structure and glycosylase mechanism revisited.
Proteins, 35, 1999
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3E65
 | | Murine INOS dimer with HEME, pterin and inhibitor AR-C120011 | | Descriptor: | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Rosenfeld, R.J, Garcin, E.D, Getzoff, E.D. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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4Y87
 | | Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one) | | Descriptor: | 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Huang, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-09-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
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4Y3L
 | | Endothiapepsin in complex with fragment 205 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Crystallographic Fragment Sreening of an Entire Library
To Be Published
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5E1U
 | | Crystal structure of IrCp*-apo-Fr | | Descriptor: | CADMIUM ION, Ferritin light chain, IRIDIUM (III) ION, ... | | Authors: | Maity, B, Fukumori, K, Abe, S, Ueno, T. | | Deposit date: | 2015-09-30 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Immobilization of two organometallic complexes into a single cage to construct protein-based microcompartments
Chem.Commun.(Camb.), 52, 2016
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4Y3Y
 | | Endothiapepsin in complex with fragment B42 | | Descriptor: | 2-AMINO-4-METHYL-PENTAN-1-OL, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.346 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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5ZEA
 | | Crystal structure of the nucleotide-free mutant A3B3 | | Descriptor: | GLYCEROL, V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B | | Authors: | Maruyama, S, Suzuki, K, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T. | | Deposit date: | 2018-02-27 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.384 Å) | | Cite: | Metastable asymmetrical structure of a shaftless V1motor.
Sci Adv, 5, 2019
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4Y4B
 | | Endothiapepsin in complex with fragment 323 | | Descriptor: | 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline, ACETATE ION, Endothiapepsin, ... | | Authors: | Fu, K, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.108 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y3E
 | | Endothiapepsin in complex with fragment 5 | | Descriptor: | 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y3Q
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3EDY
 | | Crystal Structure of the Precursor Form of Human Tripeptidyl-Peptidase 1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Guhaniyogi, J, Sohar, I, Das, K, Lobel, P, Stock, A.M. | | Deposit date: | 2008-09-03 | | Release date: | 2008-11-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure and Autoactivation Pathway of the Precursor Form of Human Tripeptidyl-peptidase 1, the Enzyme Deficient in Late Infantile Ceroid Lipofuscinosis
J.Biol.Chem., 284, 2009
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4Y3J
 | | Endothiapepsin in complex with fragment B30 | | Descriptor: | 4-METHYL-HISTIDINE, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y40
 | | Structure of Vaspin mutant D305C V383C | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 | | Authors: | Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. | | Deposit date: | 2015-02-10 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin).
Biochem.J., 470, 2015
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3EGV
 | | Ribosomal protein L11 methyltransferase (PrmA) in complex with trimethylated ribosomal protein L11 | | Descriptor: | 50S ribosomal protein L11, CHLORIDE ION, GLYCEROL, ... | | Authors: | Demirci, H, Gregory, S.T, Dahlberg, A.E, Jogl, G. | | Deposit date: | 2008-09-11 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Multiple-site trimethylation of ribosomal protein L11 by the PrmA methyltransferase.
Structure, 16, 2008
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4H7Q
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase in complex with alpha-ketoisocaproic acid and ADP | | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | | Deposit date: | 2012-09-20 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4H6Y
 | | Crystal structure of the DH-PH-PH domain of FARP1 | | Descriptor: | FERM, RhoGEF and pleckstrin domain-containing protein 1 | | Authors: | He, X, Zhang, X. | | Deposit date: | 2012-09-19 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.09 Å) | | Cite: | Structural Basis for Autoinhibition of the Guanine Nucleotide Exchange Factor FARP2.
Structure, 21, 2013
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4H85
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(R)-alpha-chloroisocaproate complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALPHA-CHLOROISOCAPROIC ACID, MAGNESIUM ION, ... | | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | | Deposit date: | 2012-09-21 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1KI8
 | | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOVINYLDEOXYURIDINE | | Descriptor: | 5-BROMOVINYLDEOXYURIDINE, SULFATE ION, THYMIDINE KINASE | | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R. | | Deposit date: | 1998-05-15 | | Release date: | 1998-12-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
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4H9Y
 | | Structure of Geobacillus kaustophilus lactonase, mutant E101N with Zn2+ | | Descriptor: | FE (III) ION, HYDROXIDE ION, Phosphotriesterase, ... | | Authors: | Xue, B, Chow, J.Y, Yew, W.S, Robinson, R.C. | | Deposit date: | 2012-09-25 | | Release date: | 2012-11-07 | | Last modified: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (2.085 Å) | | Cite: | Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase.
Biochemistry, 52, 2013
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2XP8
 | | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | | Descriptor: | 4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | | Deposit date: | 2010-08-25 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010
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