1Y4C
 
 | | Designed Helical Protein fusion MBP | | Descriptor: | Maltose binding protein fused with designed helical protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | LaPorte, S.L, Forsyth, C.M, Cunningham, B.C, Miercke, L.J, Akhavan, D, Stroud, R.M. | | Deposit date: | 2004-11-30 | | Release date: | 2005-02-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | De novo design of an IL-4 antagonist and its structure at 1.9 A.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1Y6B
 | | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | | Descriptor: | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE, Vascular endothelial growth factor receptor 2 | | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | | Deposit date: | 2004-12-05 | | Release date: | 2005-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
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6CPY
 | | Structure of apo GRMZM2G135359 pseudokinase | | Descriptor: | GRMZM2G135359 pseudokinase | | Authors: | Aquino, B, Counago, R.M, Godoi, P.H.C, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-14 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of apo GRMZM2G135359 pseudokinase
To be Published
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4F37
 | | Structure of the tethered N-terminus of Alzheimer's disease A peptide | | Descriptor: | Colicin-E7 immunity protein, Fab WO2 anti-amyloid-beta antibody Fab fragment, Im7 immunity protein | | Authors: | Nisbet, R.M, Nuttall, S.D, Caine, J.M, Rober, R, Hittaki, M, Pearce, L.A, Davydova, N, Masters, C.L, Varghese, J.N, Streltsov, V.A. | | Deposit date: | 2012-05-09 | | Release date: | 2013-05-15 | | Last modified: | 2014-09-03 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structural studies of the tethered N-terminus of the Alzheimer's disease amyloid-beta peptide.
Proteins, 81, 2013
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6CSW
 | | Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor | | Descriptor: | (7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | dos Reis, C.V, de Souza, G.P, Counago, R.M, Chiodi, C.G, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-21 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor
To Be Published
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2H8M
 | | N-Domain Of Grp94 In Complex With the 2-Iodo-NECA | | Descriptor: | (2S,3S,4R,5R)-5-(6-AMINO-2-IODO-9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE, Endoplasmin, PENTAETHYLENE GLYCOL, ... | | Authors: | Immormino, R.M, Gewirth, D.T. | | Deposit date: | 2006-06-07 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | N-Domain Of Grp94 In Complex With the 2-Iodo-NECA
To be Published
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2HCH
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6CMM
 | | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor | | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-05 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor
To Be Published
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1PRY
 | | Structure Determination of Fibrillarin Homologue From Hyperthermophilic Archaeon Pyrococcus furiosus (Pfu-65527) | | Descriptor: | Fibrillarin-like pre-rRNA processing protein | | Authors: | Deng, L, Starostina, N.G, Liu, Z.-J, Rose, J.P, Terns, R.M, Terns, M.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2003-06-20 | | Release date: | 2004-03-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure determination of fibrillarin from the hyperthermophilic archaeon Pyrococcus furiosus
Biochem.Biophys.Res.Commun., 315, 2004
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1PN3
 | | Crystal Structure of TDP-epi-Vancosaminyltransferase GtfA in complexes with TDP and the acceptor substrate DVV. | | Descriptor: | DESVANCOSAMINYL VANCOMYCIN, GLYCOSYLTRANSFERASE GTFA, THYMIDINE-5'-DIPHOSPHATE, ... | | Authors: | Mulichak, A.M, Losey, H.C, Lu, W, Wawrzak, Z, Walsh, C.T, Garavito, R.M. | | Deposit date: | 2003-06-12 | | Release date: | 2003-08-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the Tdp-Epi-Vancosaminyltransferase Gtfa from the Chloroeremomycin Biosynthetic Pathway.
Proc.Natl.Acad.Sci.USA, 100, 2003
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4FGT
 | | Allosteric peptidic inhibitor of human thymidylate synthase that stabilizes inactive conformation of the enzyme. | | Descriptor: | CG peptide, SULFATE ION, Thymidylate synthase | | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | | Deposit date: | 2012-06-04 | | Release date: | 2013-03-06 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides.
J.Med.Chem., 58, 2015
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4GOB
 | | Low pH Crystal Structure of a reconstructed Kaede-type Red Fluorescent Protein, Least Evolved Ancestor (LEA) | | Descriptor: | Kaede-type Fluorescent Protein | | Authors: | Kim, H, Grunkemeyer, T.J, Chen, L, Fromme, R, Wachter, R.M. | | Deposit date: | 2012-08-19 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Acid-base catalysis and crystal structures of a least evolved ancestral GFP-like protein undergoing green-to-red photoconversion.
Biochemistry, 52, 2013
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6CW3
 | | Crystal structure of a yeast SAGA transcriptional coactivator Ada2/Gcn5 HAT subcomplex, crystal form 2 | | Descriptor: | Histone acetyltransferase GCN5, Transcriptional adapter 2, ZINC ION, ... | | Authors: | Sun, J, Paduch, M, Kim, S.A, Kramer, R.M, Barrios, A.F, Lu, V, Luke, J, Usatyuk, S, Kossiakoff, A.A, Tan, S. | | Deposit date: | 2018-03-29 | | Release date: | 2018-09-19 | | Last modified: | 2020-03-04 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for activation of SAGA histone acetyltransferase Gcn5 by partner subunit Ada2.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1ZO8
 | | X-ray Structure of the haloalcohol dehalogenase HheC of Agrobacterium radiobacter AD1 in complex with (S)-para-nitrostyrene oxide, with a water molecule in the halide-binding site | | Descriptor: | (S)-PARA-NITROSTYRENE OXIDE, halohydrin dehalogenase | | Authors: | de Jong, R.M, Tiesinga, J.J.W, Tang, L, Villa, A, Janssen, D.B, Dijkstra, B.W. | | Deposit date: | 2005-05-12 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for the Enantioselectivity of an Epoxide Ring Opening Reaction Catalyzed by Halo Alcohol Dehalogenase HheC.
J.Am.Chem.Soc., 127, 2005
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1YYT
 | | D100E Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-azabisabolene | | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-02-25 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
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4HGA
 | | Structure of the variant histone H3.3-H4 heterodimer in complex with its chaperone DAXX | | Descriptor: | Death domain-associated protein 6, Histone H3.3, Histone H4, ... | | Authors: | Liu, C.P, Xiong, C.Y, Wang, M.Z, Yu, Z.L, Yang, N, Chen, P, Zhang, Z.G, Li, G.H, Xu, R.M. | | Deposit date: | 2012-10-07 | | Release date: | 2012-11-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Structure of the variant histone H3.3-H4 heterodimer in complex with its chaperone DAXX.
Nat.Struct.Mol.Biol., 19, 2012
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6D1X
 | | N-Domain Of Grp94, with the Charged Domain, In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine | | Descriptor: | Endoplasmin, N-PROPYL CARBOXYAMIDO ADENOSINE, TETRAETHYLENE GLYCOL | | Authors: | Gewirth, D.T, Immormino, R.M. | | Deposit date: | 2018-04-12 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90.
J.Biol.Chem., 294, 2019
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1IJC
 | | Solution Structure of Bucandin, a Neurotoxin from the Venom of the Malayan Krait | | Descriptor: | bucandin | | Authors: | Torres, A.M, Kini, R.M, Nirthanan, S, Kuchel, P.W. | | Deposit date: | 2001-04-25 | | Release date: | 2001-12-21 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR structure of bucandin, a neurotoxin from the venom of the Malayan krait (Bungarus candidus).
Biochem.J., 360, 2001
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6CX0
 | | Structure of AtTPC1 D376A | | Descriptor: | (1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, CALCIUM ION, Two pore calcium channel protein 1 | | Authors: | Kintzer, A.F, Stroud, R.M. | | Deposit date: | 2018-04-02 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | Structural basis for activation of voltage sensor domains in an ion channel TPC1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1YYQ
 | | Y305F Trichodiene Synthase complexed with pyrophosphate | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, Trichodiene synthase | | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-02-25 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
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1ZMT
 | | Structure of haloalcohol dehalogenase HheC of Agrobacterium radiobacter AD1 in complex with (R)-para-nitro styrene oxide, with a water molecule in the halide-binding site | | Descriptor: | (R)-PARA-NITROSTYRENE OXIDE, Haloalcohol dehalogenase HheC | | Authors: | de Jong, R.M, Tiesinga, J.J.W, Villa, A, Tang, L, Janssen, D.B, Dijkstra, B.W. | | Deposit date: | 2005-05-10 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for the Enantioselectivity of an Epoxide Ring Opening Reaction Catalyzed by Halo Alcohol Dehalogenase HheC.
J.Am.Chem.Soc., 127, 2005
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1NW3
 | | Structure of the Catalytic domain of human DOT1L, a non-SET domain nucleosomal histone methyltransferase | | Descriptor: | ACETATE ION, S-ADENOSYLMETHIONINE, SULFATE ION, ... | | Authors: | Min, J.R, Feng, Q, Li, Z.H, Zhang, Y, Xu, R.M. | | Deposit date: | 2003-02-05 | | Release date: | 2003-03-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Catalytic domain of human DOT1L, a non-SET domain nucleosomal histone methyltransferase
Cell(Cambridge,Mass.), 112, 2003
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4J37
 | | Crystal structure of the catalytic domain of human Pus1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 2013-02-05 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | In Human Pseudouridine Synthase 1 (hPus1), a C-Terminal Helical Insert Blocks tRNA from Binding in the Same Orientation as in the Pus1 Bacterial Homologue TruA, Consistent with Their Different Target Selectivities.
J.Mol.Biol., 425, 2013
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1PX0
 | | Crystal structure of the haloalcohol dehalogenase HheC complexed with the haloalcohol mimic (R)-1-para-nitro-phenyl-2-azido-ethanol | | Descriptor: | (R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL, halohydrin dehalogenase | | Authors: | de Jong, R.M, Tiesinga, J.J.W, Rozeboom, H.J, Kalk, K.H, Tang, L, Janssen, D.B, Dijkstra, B.W. | | Deposit date: | 2003-07-02 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Mechanism of a Bacterial Haloalcohol Dehalogenase: a new variation of the short-chain dehydrogenase/reductase fold without an NAD(P)H binding site
EMBO J., 22, 2003
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1PNV
 | | Crystal Structure of TDP-epi-Vancosaminyltransferase GtfA in complexes with TDP and Vancomycin | | Descriptor: | GLYCOSYLTRANSFERASE GTFA, THYMIDINE-5'-DIPHOSPHATE, VANCOMYCIN, ... | | Authors: | Mulichak, A.M, Losey, H.C, Lu, W, Wawrzak, Z, Walsh, C.T, Garavito, R.M. | | Deposit date: | 2003-06-13 | | Release date: | 2003-08-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the Tdp-Epi-Vancosaminyltransferase Gtfa from the Chloroeremomycin Biosynthetic Pathway.
Proc.Natl.Acad.Sci.USA, 100, 2003
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