8S9Z
 
 | | Mpro inhibitors of SARS-CoV-2 | | Descriptor: | 3C-like proteinase nsp5, Mpro inhibitor | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-03-30 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of MPI89 with Mpro of SARS-CoV-2 at 1.85A resolution.
To Be Published
|
|
7C66
 | | Crystal structure of beta-glycosides-binding protein of ABC transporter in a closed state bound to cellobiose | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
|
|
4UMS
 | | The crystal structure of the seventh ScaB type I cohesin from Pseudobacteroides cellulosolvens | | Descriptor: | CELLULOSOMAL ANCHORING SCAFFOLDIN B | | Authors: | Cameron, K, Alves, V.D, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2014-05-20 | | Release date: | 2015-05-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Combined Crystal Structure of a Type-I Cohesin, Mutation and Affinity-Binding Studies Reveal Structural Determinants of Cohesin-Dockerin Specificity
J.Biol.Chem., 290, 2015
|
|
5L6O
 | | EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 3) | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 1-(4-phenylazanylquinazolin-7-yl)ethanone, Ephrin type-B receptor 3 | | Authors: | Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C. | | Deposit date: | 2016-05-30 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3.
J.Am.Chem.Soc., 138, 2016
|
|
4UJ5
 | | Crystal structure of human Rab11-Rabin8-FIP3 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-3A-INTERACTING PROTEIN, ... | | Authors: | Vetter, M, Lorentzen, E. | | Deposit date: | 2015-04-08 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | Structure of Rab11-Fip3-Rabin8 Reveals Simultaneous Binding of Fip3 and Rabin8 Effectors to Rab11.
Nat.Struct.Mol.Biol., 22, 2015
|
|
4UNM
 | |
5LBQ
 | | LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-2,4-diamine, ... | | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | | Deposit date: | 2016-06-16 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
|
|
4UOC
 | |
8T0O
 | | Fab from mAb RB2AT_87 | | Descriptor: | CHLORIDE ION, RB2AT_87 Fab Heavy chain, RB2AT_87 Fab Light chain | | Authors: | Kreutzer, A.G, Malonis, R.J, Lai, J.R, Nowick, J.S. | | Deposit date: | 2023-06-01 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Generation and Study of Antibodies against Two Triangular Trimers Derived from A beta.
Pept Sci (Hoboken), 116, 2024
|
|
8SLO
 | | Plasmodium falciparum M1 aminopeptidase bound to selective inhibitor MIPS2673 | | Descriptor: | 2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide, GLYCEROL, M1 family aminopeptidase, ... | | Authors: | McGowan, S.M, Drinkwater, N. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Chemoproteomics validates selective targeting of Plasmodium M1 alanyl aminopeptidase as an antimalarial strategy.
Elife, 13, 2024
|
|
5L90
 | |
7C8U
 | | The crystal structure of COVID-19 main protease in complex with GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | Authors: | Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S. | | Deposit date: | 2020-06-03 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The crystal structure of COVID-19 main protease in complex with GC376
To Be Published
|
|
5L9K
 | | OCEANOBACILLUS IHEYENSIS MACRODOMAIN WITH ADPR | | Descriptor: | GLYCEROL, MACROD-TYPE MACRODOMAIN, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | | Deposit date: | 2016-06-10 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
|
|
4UNY
 | | Structure of the A_Equine_Newmarket_2_93 H3 haemagglutinin in complex with 6SO4-3SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H3 HAEMAGGLUTININ HA2 CHAIN, ... | | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
8SBQ
 | |
4UOV
 | | The structure of a tetrameric alpha-carbonic anhydrase from Thermovibrio ammonificans reveals a core formed around intermolecular disulfides, which contribute to its thermostability. | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | Authors: | James, P, Isupov, M, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J. | | Deposit date: | 2014-06-10 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability
Acta Crystallogr.,Sect.D, 70, 2014
|
|
7CAN
 | | Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | | Authors: | Li, T, Yao, H, Cai, H, Qin, W, Li, D. | | Deposit date: | 2020-06-09 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
|
|
7C6L
 | | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (Form II) | | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
|
|
4UPA
 | |
5L1X
 | | Structure of the Human Metapneumovirus Fusion Protein in the Postfusion Conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mas, V, Melero, J.A, McLellan, J.S. | | Deposit date: | 2016-07-29 | | Release date: | 2016-08-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Engineering, Structure and Immunogenicity of the Human Metapneumovirus F Protein in the Postfusion Conformation.
Plos Pathog., 12, 2016
|
|
7CAY
 | | Crystal Structure of Lon N-terminal domain protein from Xanthomonas campestris | | Descriptor: | ATP-dependent protease | | Authors: | Singh, R, Sharma, B, Deshmukh, S, Kumar, A, Makde, R.D. | | Deposit date: | 2020-06-10 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of XCC3289 from Xanthomonas campestris: homology with the N-terminal substrate-binding domain of Lon peptidase.
Acta Crystallogr.,Sect.F, 76, 2020
|
|
8SJ2
 | |
8SJ8
 | | Structure of binary complex of human cGAS and bound ppp(2'-5')GpG | | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, [[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Authors: | Wu, S, Sohn, J. | | Deposit date: | 2023-04-17 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
|
|
8S5B
 | | Crystal structure of the sulfoquinovosyl binding protein (SmoF) from A. tumefaciens sulfo-SMO pathway in complex with SQOctyl ligand | | Descriptor: | Sulfoquinovosyl glycerol-binding protein SmoF, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | Authors: | Snow, A.J.D, Sharma, M, Davies, G.J. | | Deposit date: | 2024-02-23 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose.
Org.Biomol.Chem., 22, 2024
|
|
5L6G
 | | Xylooligosaccharide oxidase from Myceliophthora thermophila C1 in complex with Xylose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FAD linked oxidase-like protein, ... | | Authors: | Rozeboom, H.J, Ferrari, A.R, Fraaije, M.W. | | Deposit date: | 2016-05-30 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of a Xylooligosaccharide Oxidase from Myceliophthora thermophila C1.
J.Biol.Chem., 291, 2016
|
|
