2JO4
 
 | | Tetrameric structure of KIA7 peptide | | Descriptor: | KIA7 | | Authors: | Lopez de la Osa, J, Gonzalez, C, Laurents, D.V, Chakrabartty, A, Bateman, D.A. | | Deposit date: | 2007-02-21 | | Release date: | 2007-09-18 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Getting specificity from simplicity in putative proteins from the prebiotic earth.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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6P78
 | | queuine lyase from Clostridium spiroforme bound to SAM and queuine | | Descriptor: | 2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, IRON/SULFUR CLUSTER, Queuine lyase, ... | | Authors: | Almo, S.C, Grove, T.L. | | Deposit date: | 2019-06-05 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.726 Å) | | Cite: | Discovery of novel bacterial queuine salvage enzymes and pathways in human pathogens.
Proc.Natl.Acad.Sci.USA, 116, 2019
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2JO5
 | | Tetrameric structure of KIA7F peptide | | Descriptor: | KIA7F | | Authors: | Lopez de la Osa, J, Gonzalez, C, Laurents, D.V, Chakrabartty, A, Bateman, D.A. | | Deposit date: | 2007-02-21 | | Release date: | 2007-09-18 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Getting specificity from simplicity in putative proteins from the prebiotic earth.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4TWT
 | | Human TNFa dimer in complex with the semi-synthetic bicyclic peptide M21 | | Descriptor: | (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol, ALA-CYS-PRO-PRO-CYS-LEU-TRP-GLN-VAL-LEU-CYS-GLY, GLYCEROL, ... | | Authors: | Luzi, S, Kondo, Y, Bernard, E, Stadler, L, Winter, G, Holliger, P. | | Deposit date: | 2014-07-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Subunit disassembly and inhibition of TNF alpha by a semi-synthetic bicyclic peptide.
Protein Eng.Des.Sel., 28, 2015
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2QUZ
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8QLG
 | | Crystal structure of the pneumococcal Substrate-binding protein AliD in closed conformation in complex with Peptide 1 | | Descriptor: | AliD, Peptide 1, ZINC ION | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
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8QLH
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8QLC
 | | Crystal structure of the pneumococcal Substrate-binding protein AliD in open conformation | | Descriptor: | AliD, MAGNESIUM ION | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
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8QLJ
 | | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with an unknown peptide | | Descriptor: | ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, Oligopeptide-binding protein AliB | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
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8QLV
 | | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 4 | | Descriptor: | Oligopeptide-binding protein AliB, VAL-MET-VAL-LYS-GLY-PRO-GLY-PRO-GLY-ARG | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
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8QLK
 | | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 2 | | Descriptor: | ALA-ILE-GLN-SER-GLU-LYS-ALA-ARG-LYS-HIS-ASN, Oligopeptide-binding protein AliB | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
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8QLM
 | | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 3 | | Descriptor: | Oligopeptide-binding protein AliB, PRO-ILE-VAL-GLY-GLY-HIS-GLU-GLY-ALA-GLY-VAL | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
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3D2O
 | | Crystal Structure of Manganese-metallated GTP Cyclohydrolase Type IB | | Descriptor: | AZIDE ION, CHLORIDE ION, LITHIUM ION, ... | | Authors: | Swairjo, M.A. | | Deposit date: | 2008-05-08 | | Release date: | 2009-05-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Zinc-independent folate biosynthesis: genetic, biochemical, and structural investigations reveal new metal dependence for GTP cyclohydrolase IB
J.Bacteriol., 191, 2009
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8A42
 | | Crystal structure of the pneumococcal Substrate-binding protein AmiA in complex with an unknown peptide | | Descriptor: | Oligopeptide-binding protein AmiA, Unknown peptide | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2022-06-10 | | Release date: | 2023-12-20 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
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1HKA
 | | 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE | | Descriptor: | 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE | | Authors: | Xiao, B, Shi, G, Chen, X, Yan, H, Ji, X. | | Deposit date: | 1998-09-29 | | Release date: | 1999-06-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, a potential target for the development of novel antimicrobial agents.
Structure Fold.Des., 7, 1999
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5GO1
 | | Structural, Functional characterization and discovery of novel inhibitors of Leishmania amazonensis Nucleoside Diphosphatase Kinase (NDK) | | Descriptor: | Nucleoside diphosphate kinase | | Authors: | Mishra, A.K, Agnihotri, P, Singh, S.P, Pratap, J.V. | | Deposit date: | 2016-07-26 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of novel inhibitors for Leishmania nucleoside diphosphatase kinase (NDK) based on its structural and functional characterization.
J. Comput. Aided Mol. Des., 31, 2017
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8U89
 | | The structure of the PP2A-B56Delta holoenzyme mutant - E197K | | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ... | | Authors: | Wu, C.G, Xing, Y. | | Deposit date: | 2023-09-16 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | B56 delta long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7K12
 | | ACMSD in complex with diflunisal | | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, CITRIC ACID, ... | | Authors: | Yang, Y, Liu, A. | | Deposit date: | 2020-09-07 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
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8U1X
 | | The structure of the PP2A-B56Delta holoenzyme mutant - E197K | | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ... | | Authors: | Wu, C.G, Xing, Y. | | Deposit date: | 2023-09-04 | | Release date: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | B56 delta long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7K13
 | | ACMSD in complex with diflunisal derivative 14 | | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 2-hydroxy-5-(thiophen-3-yl)benzoic acid, ZINC ION | | Authors: | Yang, Y, Liu, A. | | Deposit date: | 2020-09-07 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
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6W1V
 | | RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2020-03-04 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6W1O
 | | RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.08 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2020-03-04 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6W1Q
 | | RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2020-03-04 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6W1T
 | | RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2020-03-04 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6W1U
 | | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.09 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2020-03-04 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
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