6GM3
 
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant R286A | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | Deposit date: | 2018-05-24 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
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3DSF
 | | Crystal structure of anti-osteopontin antibody 23C3 in complex with W43A mutated epitope peptide | | Descriptor: | Fab fragment of anti-osteopontin antibody 23C3, Heavy chain, Light chain, ... | | Authors: | Du, J, Zhong, C, Yang, H, Ding, J. | | Deposit date: | 2008-07-12 | | Release date: | 2008-10-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular basis of recognition of human osteopontin by 23C3, a potential therapeutic antibody for treatment of rheumatoid arthritis
J.Mol.Biol., 382, 2008
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1QV1
 | | Atomic resolution structure of obelin from Obelia longissima | | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, CALCIUM ION, COBALT (II) ION, ... | | Authors: | Liu, Z.J, Vysotski, E.S, Deng, L, Lee, J, Rose, J, Wang, B.C. | | Deposit date: | 2003-08-26 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic resolution structure of obelin: soaking with calcium enhances electron density of the second oxygen atom substituted at the C2-position of coelenterazine.
Biochem.Biophys.Res.Commun., 311, 2003
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7KJ2
 | | SARS-CoV-2 Spike Glycoprotein with one ACE2 Bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | | Deposit date: | 2020-10-25 | | Release date: | 2020-11-11 | | Last modified: | 2021-02-24 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
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6FWN
 | | Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor | | Descriptor: | von Willebrand factor | | Authors: | Xu, E.-R, von Buelow, S, Chen, P.-C, Lenting, P.J, Kolsek, K, Aponte-Santamaria, C, Simon, B, Foot, J, Obser, T, Graeter, F, Schneppenheim, R, Denis, C.V, Wilmanns, M, Hennig, J. | | Deposit date: | 2018-03-06 | | Release date: | 2018-10-24 | | Last modified: | 2019-05-08 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor.
Blood, 133, 2019
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4B05
 | | Preclinical characterization of AZD3839, a novel clinical candidate BACE1 inhibitor for the treatment of Alzheimer Disease | | Descriptor: | (1S)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ... | | Authors: | Jeppsson, F, Eketjall, S, Janson, J, Karlstrom, S, Gustavsson, S, Olsson, L.L, Radesater, A.C, Ploeger, B, Cebers, G, Kolmodin, K, Swahn, B.M, von Berg, S, Bueters, T, Falting, J. | | Deposit date: | 2012-06-28 | | Release date: | 2012-10-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease.
J. Biol. Chem., 287, 2012
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7KJ4
 | | SARS-CoV-2 Spike Glycoprotein with three ACE2 Bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | | Deposit date: | 2020-10-25 | | Release date: | 2020-11-11 | | Last modified: | 2021-02-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
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1CQK
 | | CRYSTAL STRUCTURE OF THE CH3 DOMAIN FROM THE MAK33 ANTIBODY | | Descriptor: | CH3 DOMAIN OF MAK33 ANTIBODY | | Authors: | Thies, M.J, Mayer, J, Augustine, J.G, Frederick, C.A, Lilie, H, Buchner, J. | | Deposit date: | 1999-08-06 | | Release date: | 1999-09-11 | | Last modified: | 2018-08-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Folding and association of the antibody domain CH3: prolyl isomerization preceeds dimerization.
J.Mol.Biol., 293, 1999
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1UWF
 | | 1.7 A resolution structure of the receptor binding domain of the FimH adhesin from uropathogenic E. coli | | Descriptor: | FIMH PROTEIN, GLYCEROL, butyl alpha-D-mannopyranoside | | Authors: | Bouckaert, J, Berglund, J, Genst, E.D, Cools, L, Hung, C.-S, Wuhrer, M, Zavialov, A, Langermann, S, Hultgren, S, Wyns, L, Oscarson, S, Knight, S.D, De Greve, H. | | Deposit date: | 2004-02-05 | | Release date: | 2005-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Receptor Binding Studies Disclose a Novel Class of High-Affinity Inhibitors of the Escherichia Coli Fimh Adhesin.
Mol.Microbiol., 55, 2005
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1D3L
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6G5K
 | | Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1 | | Descriptor: | Botulinum neurotoxin type B, Synaptotagmin-1 | | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | Deposit date: | 2018-03-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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6GM5
 | | [FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii,variant E141A | | Descriptor: | CHLORIDE ION, Fe-hydrogenase, IRON/SULFUR CLUSTER, ... | | Authors: | Duan, J, Engelbrecht, V, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | Deposit date: | 2018-05-24 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
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6GM7
 | | [FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii,variant E144A | | Descriptor: | CHLORIDE ION, Fe-hydrogenase, IRON/SULFUR CLUSTER | | Authors: | Duan, J, Engelbrecht, V, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | Deposit date: | 2018-05-24 | | Release date: | 2018-11-07 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
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2B4V
 | | Structural Basis for UTP Specificity of RNA Editing TUTases From Trypanosoma Brucei | | Descriptor: | POTASSIUM ION, RNA editing complex protein MP57 | | Authors: | Deng, J, Ernst, N.L, Turley, S, Stuart, K.D, Hol, W.G. | | Deposit date: | 2005-09-26 | | Release date: | 2005-11-22 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for UTP specificity of RNA editing TUTases from Trypanosoma brucei.
Embo J., 24, 2005
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2B56
 | | Structural Basis for UTP Specificity of RNA Editing TUTases From Trypanosoma Brucei | | Descriptor: | MAGNESIUM ION, RNA editing complex protein MP57, URIDINE 5'-TRIPHOSPHATE, ... | | Authors: | Deng, J, Ernst, N.L, Turley, S, Stuart, K.D, Hol, W.G. | | Deposit date: | 2005-09-27 | | Release date: | 2005-11-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural basis for UTP specificity of RNA editing TUTases from Trypanosoma brucei.
Embo J., 24, 2005
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2Q01
 | | Crystal structure of glucuronate isomerase from Caulobacter crescentus | | Descriptor: | POTASSIUM ION, Uronate isomerase | | Authors: | Patskovsky, Y, Bonanno, J, Sridhar, V, Sauder, J.M, Freeman, J, Powell, A, Koss, J, Groshong, C, Gheyi, T, Wasserman, S.R, Raushel, F, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-05-18 | | Release date: | 2007-05-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal Structure of Glucuronate Isomerase from Caulobacter crescentus.
To be Published
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3FAP
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6GXV
 | | Amylase in complex with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, A-amylase, CALCIUM ION, ... | | Authors: | Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J. | | Deposit date: | 2018-06-27 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family.
Acta Crystallogr D Struct Biol, 75, 2019
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6GYA
 | | Amylase in complex with branched ligand | | Descriptor: | A-amylase, CALCIUM ION, SODIUM ION, ... | | Authors: | Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J. | | Deposit date: | 2018-06-28 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family.
Acta Crystallogr D Struct Biol, 75, 2019
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4KQZ
 | | structure of the receptor binding domain (RBD) of MERS-CoV spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein | | Authors: | Lu, G, Hu, Y, Wang, Q, Qi, J, Gao, F, Li, Y, Zhang, Y, Zhang, W, Yuan, Y, Bao, J, Zhang, B, Shi, Y, Yan, J, Gao, G.F. | | Deposit date: | 2013-05-15 | | Release date: | 2013-07-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.514 Å) | | Cite: | Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26.
Nature, 500, 2013
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2AOC
 | | Crystal structure analysis of HIV-1 protease mutant I84V with a substrate analog P2-NC | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-12 | | Release date: | 2006-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
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2A78
 | | Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mono-ADP-ribosyltransferase C3, ... | | Authors: | Pautsch, A, Vogelsgesang, M, Trankle, J, Herrmann, C, Aktories, K. | | Deposit date: | 2005-07-05 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme.
Embo J., 24, 2005
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1ZMX
 | | Crystal structure of D. melanogaster deoxyribonucleoside kinase N64D mutant in complex with thymidine | | Descriptor: | Deoxynucleoside kinase, SULFATE ION, THYMIDINE | | Authors: | Welin, M, Skovgaard, T, Knecht, W, Berenstein, D, Munch-Petersen, B, Piskur, J, Eklund, H. | | Deposit date: | 2005-05-11 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for the changed substrate specificity of Drosophila melanogaster deoxyribonucleoside kinase mutant N64D.
Febs J., 272, 2005
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6GKL
 | | Translation initiation factor 4E in complex with beta-phosphorothioate trinucleotide mRNA 5' cap diastereomer 2 (m7GppSpApG D2) | | Descriptor: | Eukaryotic translation initiation factor 4E, GLYCEROL, [[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M. | | Deposit date: | 2018-05-21 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Translation initiation factor 4E in complex with beta-phosphorothioate trinucleotide mRNA 5' cap diastereomer 2 (m7GppSpApG D2)
To Be Published
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7KJ3
 | | SARS-CoV-2 Spike Glycoprotein with two ACE2 Bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | | Deposit date: | 2020-10-25 | | Release date: | 2020-11-11 | | Last modified: | 2021-02-24 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
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