7LLD
 
 | | Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin | | Descriptor: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-L-threo-hexopyranoside, C-6' aminotransferase, ... | | Authors: | Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B. | | Deposit date: | 2021-02-03 | | Release date: | 2021-09-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin
Acs Catalysis, 2021
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7MI8
 | | Signal subtracted reconstruction of AAA5 and AAA6 domains of dynein in the presence of a pyrazolo-pyrimidinone-based compound, Model 5 | | Descriptor: | Fusion protein of Dynein and Endolysin | | Authors: | Santarossa, C.C, Coudray, N, Urnavicius, L, Ekiert, D.C, Bhabha, G, Kapoor, T.M. | | Deposit date: | 2021-04-16 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Targeting allostery in the Dynein motor domain with small molecule inhibitors.
Cell Chem Biol, 28, 2021
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7MI6
 | | Yeast dynein motor domain in the presence of a pyrazolo-pyrimidinone-based compound, Model 1 | | Descriptor: | (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile, ADENOSINE-5'-TRIPHOSPHATE, Fusion protein of Dynein and Endolysin, ... | | Authors: | Santarossa, C.C, Urnavicius, L, Coudray, N, Ekeirt, D.C, Bhabha, G, Kapoor, T.M. | | Deposit date: | 2021-04-16 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Targeting allostery in the Dynein motor domain with small molecule inhibitors.
Cell Chem Biol, 28, 2021
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7MI3
 | | Signal subtracted reconstruction of AAA2, AAA3, and AAA4 domains of dynein in the presence of a pyrazolo-pyrimidinone-based compound, Model 4 | | Descriptor: | (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile, ADENOSINE-5'-TRIPHOSPHATE, Fusion protein of Dynein and Endolysin, ... | | Authors: | Santarossa, C.C, Coudray, N, Urnavicius, L, Ekiert, D.C, Bhabha, G, Kapoor, T.M. | | Deposit date: | 2021-04-16 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Targeting allostery in the Dynein motor domain with small molecule inhibitors.
Cell Chem Biol, 28, 2021
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7KEH
 | | Crystal structure from SARS-CoV-2 NendoU NSP15 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Nakamura, A.M, Pereira, H.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliveira, K.I.Z, Oliva, G. | | Deposit date: | 2020-10-10 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
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7JTN
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6QPN
 | | Adenovirus species D serotype 49 Fiber-Knob | | Descriptor: | Fiber, SULFATE ION | | Authors: | Baker, A.T, Rizkallah, P.J. | | Deposit date: | 2019-02-14 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | The Fiber Knob Protein of Human Adenovirus Type 49 Mediates
Highly Efficient and Promiscuous Infection of Cancer Cell Lines
Using a Novel Cell Entry Mechanism
Journal of Virology, 95, 2021
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7KEG
 | | Crystal structure from SARS-COV2 NendoU NSP15 | | Descriptor: | PHOSPHATE ION, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Nakamura, A.M, Pereira, H.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliveira, K.I.Z, Oliva, G. | | Deposit date: | 2020-10-10 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
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1HB2
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
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5UXO
 | | Type II DAH7PS from Pseudomonas aeruginosa | | Descriptor: | ACETATE ION, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Sterritt, O.W, Jameson, G.B, Parker, E.J. | | Deposit date: | 2017-02-23 | | Release date: | 2018-02-28 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux.
Biochemistry, 57, 2018
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1HB3
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
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1HB4
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
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1HB1
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC ACOV FE COMPLEX) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE, ... | | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
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7M7V
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 | | Descriptor: | 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide, Polyketide synthase Pks13 | | Authors: | Aggarwal, A, Sacchettini, J.C. | | Deposit date: | 2021-03-29 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target.
J.Med.Chem., 65, 2022
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2F9R
 | | Crystal structure of the inactive state of the Smase I, a sphingomyelinase D from Loxosceles laeta venom | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Sphingomyelinase D 1 | | Authors: | Murakami, M.T, Gabdoulkhakov, A, Fernandes-Pedrosa, M.F, Betzel, C, Tambourgi, D.V, Arni, R.K. | | Deposit date: | 2005-12-06 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for metal ion coordination and the catalytic mechanism of sphingomyelinases D.
J.Biol.Chem., 280, 2005
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6U6O
 | | Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH846 | | Descriptor: | DH846 Fab heavy chain, DH846 Fab light chain | | Authors: | Chen, W.-H, Choe, M, Saunders, K.O, Joyce, M.G. | | Deposit date: | 2019-08-30 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.806 Å) | | Cite: | Structural and genetic convergence of HIV-1 neutralizing antibodies in vaccinated non-human primates.
Plos Pathog., 17, 2021
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6U6M
 | | Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH840.1 | | Descriptor: | DH840.1 Fab heavy chain, DH840.1 Fab light chain | | Authors: | Chen, W.-H, Choe, M, Saunders, K.O, Joyce, M.G. | | Deposit date: | 2019-08-30 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.683 Å) | | Cite: | Structural and genetic convergence of HIV-1 neutralizing antibodies in vaccinated non-human primates.
Plos Pathog., 17, 2021
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1NUR
 | | CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC NMN/NaMN ADENYLYLTRANSFERASE | | Descriptor: | FKSG76, SULFATE ION | | Authors: | Zhang, X, Kurnasov, O.V, Karthikeyan, S, Grishin, N.V, Osterman, A.L, Zhang, H. | | Deposit date: | 2003-02-01 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | STRUCTURAL CHARACTERIZATION OF A HUMAN CYTOSOLIC NMN/NaMN
ADENYLYLTRANSFERASE AND IMPLICATION IN HUMAN NAD BIOSYNTHESIS
J.Biol.Chem., 278, 2003
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5IKX
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6XTF
 | | Crystal structure a Thioredoxin Reductase from Gloeobacter violaceus bound to its electron donor | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Buey, R.M, Gonzalez-Holgado, G, Fernandez-Justel, D, Balsera, M. | | Deposit date: | 2020-01-16 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Unexpected diversity of ferredoxin-dependent thioredoxin reductases in cyanobacteria.
Plant Physiol., 186, 2021
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5LWO
 | | Structure of Spin-labelled T4 lysozyme mutant L115C-R119C-R1 at 100K | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T. | | Deposit date: | 2016-09-18 | | Release date: | 2017-03-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.183 Å) | | Cite: | Internal Dynamics of the 3-Pyrroline-N-Oxide Ring in Spin-Labeled Proteins.
J Phys Chem Lett, 8, 2017
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5M2J
 | | Complex between human TNF alpha and Llama VHH2 | | Descriptor: | Anti-(ED-B) scFV, Tumor necrosis factor | | Authors: | Cambillau, C, Spinelli, S, Desmyter, A, de Haard, H. | | Deposit date: | 2016-10-13 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bivalent Llama Single-Domain Antibody Fragments against Tumor Necrosis Factor Have Picomolar Potencies due to Intramolecular Interactions.
Front Immunol, 8, 2017
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7ZZV
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5J5I
 | | X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol, Acetylcholine-binding protein, ... | | Authors: | Kaczanowska, K, Harel, M, Camacho Hernandez, G.A, Taylor, P. | | Deposit date: | 2016-04-02 | | Release date: | 2017-03-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.326 Å) | | Cite: | Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
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4ICC
 | | Crystal structure of human AKR1B10 complexed with NADP+ and JF0064 | | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2012-12-10 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
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