5YR6
 
 | | Human methionine aminopeptidase type 1b (F309L mutant) in complex with TNP470 | | Descriptor: | (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate, COBALT (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Pillalamarri, V, Arya, T, Addlagatta, A. | | Deposit date: | 2017-11-08 | | Release date: | 2018-11-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis.
Biochem. J., 476, 2019
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4YZT
 | | Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis complexed with cellotetraose | | Descriptor: | 1,2-ETHANEDIOL, Cellulose hydrolase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Liberato, M.V, Popov, A, Polikarpov, I. | | Deposit date: | 2015-03-25 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.665 Å) | | Cite: | Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Sci Rep, 6, 2016
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1URJ
 | | Single stranded DNA-binding protein(ICP8) from Herpes simplex virus-1 | | Descriptor: | MAJOR DNA-BINDING PROTEIN, MERCURY (II) ION, ZINC ION | | Authors: | Panjikar, S, Mapelli, M, Tucker, P.A. | | Deposit date: | 2003-10-30 | | Release date: | 2004-11-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of the herpes simplex virus 1 ssDNA-binding protein suggests the structural basis for flexible, cooperative single-stranded DNA binding.
J. Biol. Chem., 280, 2005
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1UUD
 | | NMR structure of a synthetic small molecule, rbt203, bound to HIV-1 TAR RNA | | Descriptor: | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE, RNA (5'-(*GP*GP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP *CP*CP*UP*GP*GP*GP*AP*GP*CP*UP*CP*UP*CP*UP*GP*CP*C) -3') | | Authors: | Davis, B, Afshar, M, Varani, G, Karn, J, Murchie, A.I.H, Lentzen, G, Drysdale, M.J, Potter, A.J, Bower, J, Aboul-Ela, F. | | Deposit date: | 2003-12-18 | | Release date: | 2004-03-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Rational Design of Inhibitors of HIV-1 Tar RNA Through the Stabilisation of Electrostatic "Hot Spots"
J.Mol.Biol., 336, 2004
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6LN2
 | | Crystal structure of full length human GLP1 receptor in complex with Fab fragment (Fab7F38) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab7F38_heavy chain, Fab7F38_light chain, ... | | Authors: | Wu, F, Yang, L, Hang, K, Laursen, M, Wu, L, Han, G.W, Ren, Q, Roed, N.K, Lin, G, Hanson, M, Jiang, H, Wang, M, Reedtz-Runge, S, Song, G, Stevens, R.C. | | Deposit date: | 2019-12-28 | | Release date: | 2020-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Full-length human GLP-1 receptor structure without orthosteric ligands.
Nat Commun, 11, 2020
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4MWD
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) and ATP analog AMPPCP | | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.253 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4MNS
 | | Crystal structure of the major pollen allergen Bet v 1-A in complex with P303 | | Descriptor: | (3R,4R,5aR,11aR)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid, Major pollen allergen Bet v 1-A | | Authors: | Leone, P, Roussel, A. | | Deposit date: | 2013-09-11 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Development and evaluation of a sublingual tablet based on recombinant Bet v 1 in birch pollen-allergic patients.
Allergy, 70, 2015
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3QYR
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5W8B
 | | Carbonic anhydrase II in complex with activating histamine pyridinium derivative | | Descriptor: | 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Bhatt, A, Ilies, M, McKenna, R. | | Deposit date: | 2017-06-21 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Crystal Structure of Carbonic Anhydrase II in Complex with an Activating Ligand: Implications in Neuronal Function.
Mol. Neurobiol., 55, 2018
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5ZJ8
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4MTA
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7EST
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7KWA
 | | Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide | | Descriptor: | Endolysin,DCN1-like protein 1, N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide | | Authors: | Kim, H.S, Hammill, J.T, Schulman, B.A, Guy, R.K, Scott, D.C. | | Deposit date: | 2020-11-30 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.572 Å) | | Cite: | Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M.
J.Med.Chem., 64, 2021
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1J5L
 | | NMR STRUCTURE OF THE ISOLATED BETA_C DOMAIN OF LOBSTER METALLOTHIONEIN-1 | | Descriptor: | CADMIUM ION, METALLOTHIONEIN-1 | | Authors: | Munoz, A, Forsterling, F.H, Shaw III, C.F, Petering, D.H. | | Deposit date: | 2002-05-16 | | Release date: | 2002-05-22 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Structure of the (113)Cd(3)beta domains from Homarus americanus metallothionein-1: hydrogen bonding and solvent accessibility of sulfur atoms
J.Biol.Inorg.Chem., 7, 2002
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4D5E
 | | Crystal Structure of recombinant wildtype CDH | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Loschonsky, S, Wacker, T, Waltzer, S, Giovannini, P.P, McLeish, M.J, Andrade, S.L.A, Mueller, M. | | Deposit date: | 2014-11-03 | | Release date: | 2015-01-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Extended Reaction Scope of Thiamine Diphosphate Dependent Cyclohexane-1,2-Dione Hydrolase: From C-C Bond Cleavage to C-C Bond Ligation.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6LL4
 | | Oxygen-exposed carbazole-soaked reduced terminal oxygenase of carbazole 1,9a-dioxygenase | | Descriptor: | (9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole, 1,2-ETHANEDIOL, 2'-amino[1,1'-biphenyl]-2,3-diol, ... | | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2019-12-21 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Oxygen-exposed carbazole-soaked reduced terminal oxygenase of carbazole 1,9a-dioxygenase with
To Be Published
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3CRI
 | | Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ser, Glu82Asn and Lys101Ala | | Descriptor: | FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION | | Authors: | Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M. | | Deposit date: | 2008-04-07 | | Release date: | 2009-02-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
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7JVU
 | | Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with SAHA | | Descriptor: | 1,2-ETHANEDIOL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ... | | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | | Deposit date: | 2020-08-24 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5004766 Å) | | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
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4B9Y
 | | Crystal Structure of Apo Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31 | | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GLUCOSIDASE, PUTATIVE, ... | | Authors: | Larsbrink, J, Izumi, A, Hemsworth, G.R, Davies, G.J, Brumer, H. | | Deposit date: | 2012-09-09 | | Release date: | 2012-11-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Enzymology of Cellvibrio Japonicus Agd31B Reveals Alpha-Transglucosylase Activity in Glycoside Hydrolase Family 31
J.Biol.Chem., 287, 2012
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1BAJ
 | | HIV-1 CAPSID PROTEIN C-TERMINAL FRAGMENT PLUS GAG P2 DOMAIN | | Descriptor: | GAG POLYPROTEIN | | Authors: | Worthylake, D.K, Wang, H, Yoo, S, Sundquist, W.I, Hill, C.P. | | Deposit date: | 1998-04-17 | | Release date: | 1998-10-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of the HIV-1 capsid protein dimerization domain at 2.6 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
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1NE7
 | | HUMAN GLUCOSAMINE-6-PHOSPHATE DEAMINASE ISOMERASE AT 1.75 A RESOLUTION COMPLEXED WITH N-ACETYL-GLUCOSAMINE-6-PHOSPHATE AND 2-DEOXY-2-AMINO-GLUCITOL-6-PHOSPHATE | | Descriptor: | 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Glucosamine-6-phosphate isomerase, ... | | Authors: | Arreola, R, Valderrama, B, Morante, M.L, Horjales, E. | | Deposit date: | 2002-12-10 | | Release date: | 2003-09-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Two mammalian glucosamine-6-phosphate deaminases: a structural and genetic study.
Febs Lett., 551, 2003
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6SM8
 | | Human jak1 kinase domain in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile, Tyrosine-protein kinase JAK1 | | Authors: | Read, J.A, Steuber, H. | | Deposit date: | 2019-08-21 | | Release date: | 2020-04-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
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5CNM
 | | mGluR3 complexed with glutamate analog | | Descriptor: | (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Monn, J.A, Clawson, D.K, McKinzie, D. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
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1NKH
 | | Crystal structure of Lactose synthase complex with UDP and Manganese | | Descriptor: | ALPHA-LACTALBUMIN, BETA-1,4-GALACTOSYLTRANSFERASE, CALCIUM ION, ... | | Authors: | Ramakrishnan, B, Qasba, P.K. | | Deposit date: | 2003-01-03 | | Release date: | 2003-01-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of lactose synthase reveals a large conformational
change in its catalytic component, the beta-1,4-galactosyltransferase
J.Mol.Biol., 310, 2001
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3I4D
 | | Photosynthetic reaction center from rhodobacter sphaeroides 2.4.1 | | Descriptor: | (2R,3S)-heptane-1,2,3-triol, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ... | | Authors: | Fujii, R, Adachi, S, Roszak, A.W, Gardiner, A.T, Cogdell, R.J, Isaacs, N.W, Koshihara, S, Hashimoto, H. | | Deposit date: | 2009-07-01 | | Release date: | 2010-12-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure of the carotenoid bound to the reaction centre from Rhodobacter sphaeroides 2.4.1 revealed by time-resolved X-ray crystallography
To be Published
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