8B2O
 
 | | Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A, Ampicillin, 5 sec | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-09-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8AWB
 | | Xylose Isomerase in 90% relative humidity environment | | Descriptor: | GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-08-29 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8B2V
 | | Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A Ampicillin, 1 sec | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-09-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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4IRV
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4JJM
 | | Structure of a cyclophilin from Citrus sinensis (CsCyp) in complex with cyclosporin A | | Descriptor: | Peptidyl-prolyl cis-trans isomerase, cyclosporin A | | Authors: | Campos, B.M, Ambrosio, A.L.B, Souza, T.A.C.B, Barbosa, J.A.R.G, Benedetti, C.E. | | Deposit date: | 2013-03-08 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | A redox 2-cys mechanism regulates the catalytic activity of divergent cyclophilins.
Plant Physiol., 162, 2013
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4JRP
 | | Structure of E. coli Exonuclease I in complex with a 5cy-dT13 oligonucleotide | | Descriptor: | 5cy-dT13, Exodeoxyribonuclease I, GLYCEROL, ... | | Authors: | Bell, C.E. | | Deposit date: | 2013-03-21 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of Escherichia coli exonuclease I in complex with single-stranded DNA provide insights into the mechanism of processive digestion.
Nucleic Acids Res., 41, 2013
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3POJ
 | | Crystal structure of MASP-1 CUB2 domain bound to Ethylamine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ETHANAMINE, ... | | Authors: | Gingras, A.R, Moody, P.C.E, Wallis, R. | | Deposit date: | 2010-11-22 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Structural Basis of Mannan-Binding Lectin Recognition by Its Associated Serine Protease MASP-1: Implications for Complement Activation.
Structure, 19, 2011
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3PQK
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4KMX
 | | Human folate receptor alpha (FOLR1) at acidic pH, hexagonal form | | Descriptor: | 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, CHLORIDE ION, ... | | Authors: | Wibowo, A.S, Dann III, C.E. | | Deposit date: | 2013-05-08 | | Release date: | 2013-08-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4JRQ
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3PVA
 | | PENICILLIN V ACYLASE FROM B. SPHAERICUS | | Descriptor: | PROTEIN (PENICILLIN V ACYLASE) | | Authors: | Suresh, C.G, Pundle, A.V, Rao, K.N, Sivaraman, H, Brannigan, J.A, Mcvey, C.E, Verma, C.S, Dauter, Z, Dodson, E.J, Dodson, G.G. | | Deposit date: | 1998-11-13 | | Release date: | 1999-11-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Penicillin V acylase crystal structure reveals new Ntn-hydrolase family members.
Nat.Struct.Biol., 6, 1999
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3POF
 | | Crystal structure of MASP-1 CUB2 domain bound to Ca2+ | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Mannan-binding lectin serine protease 1, ... | | Authors: | Gingras, A.R, Moody, P.C.E, Wallis, R. | | Deposit date: | 2010-11-22 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Structural Basis of Mannan-Binding Lectin Recognition by Its Associated Serine Protease MASP-1: Implications for Complement Activation.
Structure, 19, 2011
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4JS5
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7UXX
 | | Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain | | Descriptor: | ACETATE ION, GLYCEROL, Nucleoprotein | | Authors: | Bezerra, E.H.S, Tonoli, C.C.C, Soprano, A.S, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | | Deposit date: | 2022-05-06 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor.
Sci Rep, 12, 2022
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7UVW
 | | A. baumannii ribosome: 70S with E-site tRNA | | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2022-05-02 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.37 Å) | | Cite: | Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023
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7UVX
 | | A. baumannii 70S ribosome-Streptothricin-F complex | | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2022-05-02 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.35 Å) | | Cite: | Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023
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7UVY
 | | A. baumannii ribosome-Streptothricin-D complex: 70S with P-site tRNA | | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2022-05-02 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023
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7UVV
 | | A. baumannii ribosome-Streptothricin-F complex: 70S with P-site tRNA | | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2022-05-02 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023
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7UVZ
 | | A. baumannii ribosome-Streptothricin-D complex: 70S with E-site tRNA | | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2022-05-02 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.21 Å) | | Cite: | Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023
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4KMY
 | | Human folate receptor beta (FOLR2) at neutral pH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Folate receptor beta, POTASSIUM ION | | Authors: | Wibowo, A.S, Dann III, C.E. | | Deposit date: | 2013-05-08 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.795 Å) | | Cite: | Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
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7UXZ
 | | Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain complexed with Chicoric acid | | Descriptor: | (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bezerra, E.H.S, Tonoli, C.C.C, Soprano, A.S, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | | Deposit date: | 2022-05-06 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.733 Å) | | Cite: | Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor.
Sci Rep, 12, 2022
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7UYU
 | | Crystal structure of TYK2 kinase domain in complex with compound 30 | | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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7UYR
 | | Crystal structure of TYK2 kinase domain in complex with compound 12 | | Descriptor: | 2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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7UYW
 | | Crystal structure of JAK2 kinase domain in complex with compound 30 | | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Tyrosine-protein kinase JAK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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7UYT
 | | Crystal structure of TYK2 kinase domain in complex with compound 25 | | Descriptor: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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