2WDV
 
 | | E. coli succinate:quinone oxidoreductase (SQR) with an empty quinone- binding pocket | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. | | Deposit date: | 2009-03-26 | | Release date: | 2009-08-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of Escherichia Coli Succinate:Quinone Oxidoreductase with an Occupied and Empty Quinone- Binding Site.
J.Biol.Chem., 284, 2009
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5DDC
 | | Menin in complex with MI-2-3 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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4L6O
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4FKZ
 | | Crystal structure of Bacillus subtilis UDP-GlcNAc 2-epimerase in complex with UDP-GlcNAc and UDP | | Descriptor: | UDP-N-acetylglucosamine 2-epimerase, URIDINE-5'-DIPHOSPHATE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | | Authors: | Yang, C.S, Chen, S.C, Kuan, S.M, Chen, Y.R, Liu, Y.H, Chen, Y. | | Deposit date: | 2012-06-14 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of Bacillus subtilis UDP-GlcNAc 2-epimerase in complex with UDP-GlcNAc and UDP
To be Published
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4FEW
 | | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2 | | Descriptor: | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
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4L77
 | | P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, P450cin, ... | | Authors: | Madrona, Y, Poulos, T.L. | | Deposit date: | 2013-06-13 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.379 Å) | | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility.
Biochemistry, 52, 2013
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4LHT
 | | Crystal Structure of P450cin Y81F mutant, crystallized in 3 mM 1,8-cineole | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Madrona, Y, Poulos, T.L. | | Deposit date: | 2013-07-01 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.137 Å) | | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility.
Biochemistry, 52, 2013
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2YBS
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2YCQ
 | | Crystal structure of checkpoint kinase 2 in complex with inhibitor PV1115 | | Descriptor: | N-{4-[(1E)-N-1H-IMIDAZOL-2-YLETHANEHYDRAZONOYL]PHENYL}-7-NITRO-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S. | | Deposit date: | 2011-03-16 | | Release date: | 2011-11-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
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5GU1
 | | Crystal structure of Au(L).CL-apo-E45C/R52C-rHLFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | | Authors: | Maity, B, Abe, S, Ueno, T. | | Deposit date: | 2016-08-24 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Observation of gold sub-nanocluster nucleation within a crystalline protein cage
Nat Commun, 8, 2017
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7QTI
 | | SARS-CoV-2 S Omicron Spike B.1.1.529 - 3-P2G3 and 1-P5C3 Fabs (Global) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2G3 Heavy Chain, ... | | Authors: | Ni, D, Lau, K, Turelli, P, Fenwick, C, Perez, L, Pojer, F, Stahlberg, H, Pantaleo, G, Trono, D. | | Deposit date: | 2022-01-14 | | Release date: | 2022-08-03 | | Last modified: | 2022-09-07 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Patient-derived monoclonal antibody neutralizes SARS-CoV-2 Omicron variants and confers full protection in monkeys.
Nat Microbiol, 7, 2022
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7QUP
 | | D. melanogaster 13-protofilament microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J. | | Deposit date: | 2022-01-18 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Sci Adv, 9, 2023
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1NNF
 | | Crystal Structure Analysis of Haemophlius Influenzae Ferric-ion Binding Protein H9Q Mutant Form | | Descriptor: | FE (III) ION, Iron-utilization periplasmic protein, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID | | Authors: | Shouldice, S.R, Dougan, D.R, Skene, R.J, Tari, L.W, McRee, D.E, Yu, R.-H, Schryvers, A.B. | | Deposit date: | 2003-01-13 | | Release date: | 2003-04-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High Resolution Structure of an Alternate Form of the Ferric ion Binding Protein from Haemophilus influenzae
J.Biol.Chem., 278, 2003
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2WDR
 | | E. coli succinate:quinone oxidoreductase (SQR) with pentachlorophenol bound | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. | | Deposit date: | 2009-03-25 | | Release date: | 2009-08-25 | | Last modified: | 2015-02-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of Escherichia Coli Succinate:Quinone Oxidoreductase with an Occupied and Empty Quinone- Binding Site.
J.Biol.Chem., 284, 2009
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3FSR
 | | Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, NADP-dependent alcohol dehydrogenase, ... | | Authors: | Frolow, F, Greenblatt, H, Goihberg, E, Burstein, Y. | | Deposit date: | 2009-01-11 | | Release date: | 2010-01-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms
Biochemistry, 49, 2010
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1NNS
 | | L-asparaginase of E. coli in C2 space group and 1.95 A resolution | | Descriptor: | ASPARTIC ACID, L-asparaginase II | | Authors: | Sanches, M, Barbosa, J.A.R.G, de Oliveira, R.T, Neto, J.A.A, Polikarpov, I. | | Deposit date: | 2003-01-14 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural comparison of Escherichia coli L-asparaginase in two monoclinic space groups.
Acta Crystallogr.,Sect.D, 59, 2003
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4FO2
 | | Heat-labile enterotoxin LT-IIb-B5(T13I) mutant | | Descriptor: | ACETATE ION, Heat-labile enterotoxin IIB, B chain, ... | | Authors: | Cody, V, Pace, J, Nawar, H, Liang, S, Connell, T, Hajishengallis, G. | | Deposit date: | 2012-06-20 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-activity correlations of variant forms of the B pentamer of Escherichia coli type II heat-labile enterotoxin LT-IIb with Toll-like receptor 2 binding.
Acta Crystallogr.,Sect.D, 68, 2012
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8V99
 | | GII.26 Leon 4509 norovirus protruding domain | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Capsid protein VP1, ... | | Authors: | Kher, G, Reese, T, Pancera, M, Hansman, G. | | Deposit date: | 2023-12-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
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3B9Y
 | | Crystal structure of the Nitrosomonas europaea Rh protein | | Descriptor: | Ammonium transporter family Rh-like protein, UNKNOWN LIGAND, octyl beta-D-glucopyranoside | | Authors: | Li, X, Jayachandran, S, Nguyen, H.-H.T, Chan, M.K. | | Deposit date: | 2007-11-07 | | Release date: | 2007-12-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the Nitrosomonas europaea Rh protein.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4KXY
 | | Human transketolase in complex with ThDP analogue (R)-2-(1,2-dihydroxyethyl)-3-deaza-ThDP | | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate, CALCIUM ION, ... | | Authors: | Neumann, P, Luedtke, S, Erixon, K.M, Leeper, F, Kluger, R, Ficner, R, Tittmann, K. | | Deposit date: | 2013-05-28 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
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3FS1
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4FPS
 | | tRNA-Guanine Transglycosylase in complex with adamantyl-substituted lin-benzoguanine ligand | | Descriptor: | 6-amino-2-(methylamino)-4-(2-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Immekus, F, Klebe, G. | | Deposit date: | 2012-06-22 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Studies on TGT homodimer interface
To be Published
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7Q6L
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4FR6
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8V97
 | | GII.17 CS-E1 norovirus protruding domain | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein VP1, DI(HYDROXYETHYL)ETHER | | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | | Deposit date: | 2023-12-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
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