3DAG
 
 | | The crystal structure of [Fe]-hydrogenase holoenzyme (HMD) from METHANOCALDOCOCCUS JANNASCHII | | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ... | | Authors: | Pilak, O, Warkentin, E, Shima, S, Thauer, R.K, Ermler, U. | | Deposit date: | 2008-05-29 | | Release date: | 2008-12-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of [Fe]-hydrogenase reveals the geometry of the active site.
Science, 321, 2008
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9MER
 | | Structure of H1H5:FluA20 Chimeric Influenza HA Complex | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Seraj, N. | | Deposit date: | 2024-12-08 | | Release date: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based Design of Chimeric Influenza Hemagglutinins to Elicit Cross-group Immunity.
Biorxiv, 2025
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3DBA
 | | Crystal structure of the cGMP-bound GAF a domain from the photoreceptor phosphodiesterase 6C | | Descriptor: | Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha', GLYCEROL, GUANOSINE-3',5'-MONOPHOSPHATE | | Authors: | Martinez, S.E, Heikaus, C.C, Klevit, R.E, Beavo, J.A. | | Deposit date: | 2008-05-30 | | Release date: | 2008-07-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | The Structure of the GAF A Domain from Phosphodiesterase 6C Reveals Determinants of cGMP Binding, a Conserved Binding Surface, and a Large cGMP-dependent Conformational Change.
J.Biol.Chem., 283, 2008
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5K65
 | | Crystal structure of VEGF binding IgG1-Fc (Fcab CT6) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Humm, A, Lobner, E, Kitzmuller, M, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | | Deposit date: | 2016-05-24 | | Release date: | 2017-09-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex.
MAbs, 9, 2017
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3DCW
 | | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | | Deposit date: | 2008-06-04 | | Release date: | 2009-03-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
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3DAN
 | | Crystal Structure of Allene oxide synthase | | Descriptor: | Cytochrome P450 74A2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, L, Wang, X. | | Deposit date: | 2008-05-29 | | Release date: | 2008-09-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Modes of heme binding and substrate access for cytochrome P450 CYP74A revealed by crystal structures of allene oxide synthase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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1L7H
 | | Crystal structure of R292K mutant influenza virus neuraminidase in complex with BCX-1812 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ... | | Authors: | Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M. | | Deposit date: | 2002-03-15 | | Release date: | 2002-05-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural studies of the resistance of influenza virus neuramindase to inhibitors.
J.Med.Chem., 45, 2002
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3DD5
 | | Glomerella cingulata E600-cutinase complex | | Descriptor: | Cutinase, DIETHYL PHOSPHONATE | | Authors: | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | | Deposit date: | 2008-06-05 | | Release date: | 2008-11-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
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3DDQ
 | | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine | | Descriptor: | Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ... | | Authors: | Echalier, A, Endicott, J.A. | | Deposit date: | 2008-06-06 | | Release date: | 2008-07-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
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3DER
 | | Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Lys dipeptide | | Descriptor: | ALANINE, LYSINE, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-06-10 | | Release date: | 2008-11-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
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1L5W
 | | Crystal Structure of the Maltodextrin Phosphorylase Complexed with the Products of the Enzymatic Reaction between Glucose-1-phosphate and Maltotetraose | | Descriptor: | MALTODEXTRIN PHOSPHORYLASE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Geremia, S, Campagnolo, M, Schinzel, R, Johnson, L.N. | | Deposit date: | 2002-03-08 | | Release date: | 2002-04-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enzymatic catalysis in crystals of Escherichia coli maltodextrin phosphorylase
J.Mol.Biol., 322, 2002
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3DBD
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1L9H
 | | Crystal structure of bovine rhodopsin at 2.6 angstroms RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEPTANE-1,2,3-TRIOL, MERCURY (II) ION, ... | | Authors: | Okada, T, Fujiyoshi, Y, Silow, M, Navarro, J, Landau, E.M, Shichida, Y. | | Deposit date: | 2002-03-23 | | Release date: | 2002-05-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Functional role of internal water molecules in rhodopsin revealed by X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 99, 2002
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6ZJX
 | | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant D207A in complex with saccharose | | Descriptor: | ACETATE ION, Beta-galactosidase, MALONATE ION, ... | | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | | Deposit date: | 2020-06-29 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.206 Å) | | Cite: | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
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1LJY
 | | Crystal Structure of a Novel Regulatory 40 kDa Mammary Gland Protein (MGP-40) secreted during Involution | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MGP-40 | | Authors: | Mohanty, A.K, Singh, G, Paramasivam, M, Saravanan, K, Jabeen, T, Sharma, S, Yadav, S, Kaur, P, Kumar, P, Srinivasan, A, Singh, T.P. | | Deposit date: | 2002-04-23 | | Release date: | 2003-03-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of a Novel Regulatory 40 kDa Mammary Gland Protein (MGP-40) secreted during Involution
J.Biol.Chem., 278, 2003
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5K6B
 | | Crystal structure of prefusion-stabilized RSV F single-chain 9 DS-Cav1 variant. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, SULFATE ION | | Authors: | Joyce, M.G, Zhang, B, Rundlet, E.J, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2016-05-24 | | Release date: | 2016-08-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.981 Å) | | Cite: | Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
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5KCW
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl OBHS-N derivative | | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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5KD9
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl 4-chlorobenzyl OBHS-N derivative | | Descriptor: | (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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6TM0
 | | N-Domain P40/P90 Mycoplasma pneumoniae complexed with 6'SL | | Descriptor: | Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
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5KGP
 | | X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with chitosan | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-alpha-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | | Authors: | Dopkins, B.J, Thoden, J.B, Tipton, P.A, Holden, H.M. | | Deposit date: | 2016-06-13 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
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5KH3
 | | Crystal structure of fragment (3-(5-Chloro-1,3-benzothiazol-2-yl)propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Dong, A, Ravichandran, M, Ferreira de Freitas, R, Schapira, M, Bountra, C, Edwards, A.M, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-14 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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1L3S
 | | Crystal Structure of Bacillus DNA Polymerase I Fragment complexed to 9 base pairs of duplex DNA. | | Descriptor: | 5'-D(*GP*A*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', 5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*G)-3', DNA Polymerase I, ... | | Authors: | Johnson, S.J, Taylor, J.S, Beese, L.S. | | Deposit date: | 2002-03-01 | | Release date: | 2003-03-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Processive DNA synthesis observed in a polymerase crystal suggests a
mechanism for the prevention of frameshift mutations
Proc.Natl.Acad.Sci.USA, 100, 2003
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5JQB
 | | Crystal structure of Ebola glycoprotein in complex with ibuprofen | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ... | | Authors: | Zhao, Y, Ren, J, Stuart, D.I. | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Toremifene interacts with and destabilizes the Ebola virus glycoprotein.
Nature, 535, 2016
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1L5G
 | | CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN AVB3 IN COMPLEX WITH AN ARG-GLY-ASP LIGAND | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A. | | Deposit date: | 2002-03-06 | | Release date: | 2002-04-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
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1L1Y
 | | The Crystal Structure and Catalytic Mechanism of Cellobiohydrolase CelS, the Major Enzymatic Component of the Clostridium thermocellum cellulosome | | Descriptor: | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, cellobiohydrolase | | Authors: | Guimaraes, B.G, Souchon, H, Lytle, B.L, Wu, J.H.D, Alzari, P.M. | | Deposit date: | 2002-02-20 | | Release date: | 2002-07-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure and catalytic mechanism of cellobiohydrolase CelS, the major enzymatic component of the Clostridium thermocellum Cellulosome.
J.Mol.Biol., 320, 2002
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