8OGT
 
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04 | | Descriptor: | 2-hydrazinyl-4-methoxypyrimidine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04
To Be Published
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8OHF
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04
To Be Published
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8OHO
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11 | | Descriptor: | 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ... | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11
To Be Published
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8OGW
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02
To Be Published
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6QXM
 | | Cryo-EM structure of T7 bacteriophage portal protein, 12mer, open valve | | Descriptor: | Portal protein | | Authors: | Fabrega-Ferrer, M, Cuervo, A, Machon, C, Fernandez, F.J, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | | Deposit date: | 2019-03-07 | | Release date: | 2019-09-04 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structures of T7 bacteriophage portal and tail suggest a viral DNA retention and ejection mechanism.
Nat Commun, 10, 2019
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4U07
 | | ATP bound to eukaryotic FIC domain containing protein | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ... | | Authors: | Cole, A.R, Bunney, T.D, Katan, M. | | Deposit date: | 2014-07-11 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014
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4U0Z
 | | Eukaryotic Fic Domain containing protein with bound APCPP | | Descriptor: | Adenosine monophosphate-protein transferase FICD, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION | | Authors: | Cole, A.R, Bunney, T.D, Katan, M. | | Deposit date: | 2014-07-14 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014
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8RPX
 | | NhoI restriction endonuclease in complex with quadruply methylated DNA target | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*TP*GP*(5CM)P*AP*GP*(5CM)P*TP*C)-3'), ... | | Authors: | Rafalski, D, Krakowska, K, Gilski, M, Bochtler, M. | | Deposit date: | 2024-01-17 | | Release date: | 2024-07-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural analysis of the BisI family of modification dependent restriction endonucleases.
Nucleic Acids Res., 2024
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6ZBA
 | | Crystal structure of PDE4D2 in complex with inhibitor LEO39652 | | Descriptor: | 1,2-ETHANEDIOL, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, DIMETHYL SULFOXIDE, ... | | Authors: | Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D. | | Deposit date: | 2020-06-08 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis.
J.Med.Chem., 63, 2020
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4TUO
 | | Crystal structure of monoclonal antibody against neuroblastoma associated antigen. | | Descriptor: | Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Golik, P, Grudnik, P, Horwacik, I, Zdzalik, M, Rokita, H, Dubin, G. | | Deposit date: | 2014-06-24 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody.
Mol.Cell Proteomics, 14, 2015
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6ZGM
 | | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681 | | Descriptor: | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2020-06-19 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | ANT2681: SAR Studies Leading to the Identification of a Metallo-beta-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-ProducingEnterobacteriaceae.
Acs Infect Dis., 6, 2020
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6QMR
 | | Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid | | Descriptor: | 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D | | Authors: | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | | Deposit date: | 2019-02-08 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
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5Z3B
 | | Glycosidase Y48F | | Descriptor: | CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein | | Authors: | Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A. | | Deposit date: | 2018-01-05 | | Release date: | 2019-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
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7OO1
 | | Structure, function and characterization of a second pyruvate kinase isozyme in Pseudomonas aeruginosa. | | Descriptor: | Pyruvate kinase | | Authors: | Abdelhamid, Y, Wang, M, Parkhill, S, Brear, P, Welch, M. | | Deposit date: | 2021-05-26 | | Release date: | 2021-11-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structure, Function and Regulation of a Second Pyruvate Kinase Isozyme in Pseudomonas aeruginosa
Front Microbiol, 12, 2021
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7OYK
 | | DNA-binding domain of CggR in complex with the DNA operator | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Central glycolytic genes regulator, ... | | Authors: | Novakova, M, Rezacova, P, Skerlova, J, Brynda, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-11-10 | | Last modified: | 2021-11-24 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family.
Acta Crystallogr D Struct Biol, 77, 2021
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6ZK6
 | | Protein Phosphatase 1 (PP1) T320E mutant | | Descriptor: | FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Salvi, F, Barabas, O, Koehn, M. | | Deposit date: | 2020-06-29 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Towards Dissecting the Mechanism of Protein Phosphatase-1 Inhibition by Its C-Terminal Phosphorylation.
Chembiochem, 22, 2021
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3JSX
 | | X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 | | Descriptor: | 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Dunstan, M.S, Levy, C, Leys, D. | | Deposit date: | 2009-09-11 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).
J.Med.Chem., 52, 2009
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6ZCF
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7OJK
 | | Lassa virus L protein bound to the distal promoter duplex [DISTAL-PROMOTER] | | Descriptor: | 3' RNA, 5' RNA, RNA-directed RNA polymerase L, ... | | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | | Deposit date: | 2021-05-16 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
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6ZCH
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3JPZ
 | | Crystal Structure of Lombricine Kinase | | Descriptor: | Lombricine kinase, NITRATE ION | | Authors: | Bush, D.J, Kirillova, O, Clark, S.A, Fabiola, F, Somasundaram, T, Chapman, M.S. | | Deposit date: | 2009-09-04 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The structure of lombricine kinase: implications for phosphagen kinase conformational changes.
J.Biol.Chem., 286, 2011
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7OJL
 | | Lassa virus L protein in a pre-initiation conformation [PREINITIATION] | | Descriptor: | 3' RNA, 5' RNA, MANGANESE (II) ION, ... | | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | | Deposit date: | 2021-05-16 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
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7OJN
 | | Lassa virus L protein in an elongation conformation [ELONGATION] | | Descriptor: | 3' RNA, 5' RNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ... | | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | | Deposit date: | 2021-05-16 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
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7OJJ
 | | Lassa virus L protein with endonuclease and C-terminal domains in close proximity [MID-LINK] | | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | | Deposit date: | 2021-05-16 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
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6QMT
 | | Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid | | Descriptor: | 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Complement factor D | | Authors: | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | | Deposit date: | 2019-02-08 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
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