1BLH
 
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4NAH
 | | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT) | | Descriptor: | 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | | Authors: | Lahiri, S.D. | | Deposit date: | 2013-10-22 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy.
Antimicrob.Agents Chemother., 57, 2013
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4NAT
 | | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase | | Descriptor: | (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Lahiri, S.D. | | Deposit date: | 2013-10-22 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
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4NAU
 | | S. aureus CoaD with Inhibitor | | Descriptor: | 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | | Authors: | Lahiri, S.D. | | Deposit date: | 2013-10-22 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
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4M1R
 | | Structure of a novel cellulase 5 from a sugarcane soil metagenomic library | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellulase 5 | | Authors: | Paiva, J.H, Alvarez, T.M, Cairo, J.P, Paixao, D.A, Almeida, R.A, Tonoli, C.C.C, Ruiz, D.M, Ruller, R, Santos, C.R, Squina, F.M, Murakami, M.T. | | Deposit date: | 2013-08-03 | | Release date: | 2014-02-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and function of a novel cellulase 5 from sugarcane soil metagenome.
Plos One, 8, 2013
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4OA8
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4OA5
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2VGJ
 | | Crystal structure of Actinomadura R39 DD-peptidase complexed with a peptidoglycan-mimetic cephalosporin | | Descriptor: | CEPHALOSPORIN, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, ... | | Authors: | Sauvage, E, kerff, F, Herman, R, Charlier, P. | | Deposit date: | 2007-11-14 | | Release date: | 2008-11-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Complexes of Bacterial Dd-Peptidases with Peptidoglycan-Mimetic Ligands: The Substrate Specificity Puzzle.
J.Mol.Biol., 381, 2008
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2WKE
 | | Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6- beta-iodopenicillanate. | | Descriptor: | (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, ... | | Authors: | Sauvage, E, Herman, R, Kerff, F, Charlier, P. | | Deposit date: | 2009-06-10 | | Release date: | 2009-12-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate.
J.Am.Chem.Soc., 131, 2009
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2Y55
 | | Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein | | Descriptor: | ACETONE, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, ... | | Authors: | Sauvage, E, Zervosen, A, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | | Deposit date: | 2011-01-12 | | Release date: | 2011-07-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Unexpected Tricovalent Binding Mode of Boronic Acids within the Active Site of a Penicillin- Binding Protein.
J.Am.Chem.Soc., 133, 2011
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2Y4A
 | | Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein | | Descriptor: | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Sauvage, E, Zervosen, A, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | | Deposit date: | 2011-01-05 | | Release date: | 2011-07-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unexpected Tricovalent Binding Mode of Boronic Acids within the Active Site of a Penicillin- Binding Protein.
J.Am.Chem.Soc., 133, 2011
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2XDM
 | | Crystal structure of a complex between Actinomadura R39 DD peptidase and a peptidoglycan mimetic boronate inhibitor | | Descriptor: | (D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT (II) ION, ... | | Authors: | Rocaboy, M, Sauvage, E, Herman, R, Kerff, F, Charlier, P. | | Deposit date: | 2010-05-04 | | Release date: | 2010-07-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of a Complex between the Actinomadura R39 Dd-Peptidase and a Peptidoglycan- Mimetic Boronate Inhibitor: Interpretation of a Transition State Analogue in Terms of Catalytic Mechanism.
Biochemistry, 49, 2010
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7UOT
 | | Native Lassa glycoprotein in complex with neutralizing antibodies 8.9F and 37.2D | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, 37.2D heavy chain (variable domain), ... | | Authors: | Li, H, Saphire, E.O. | | Deposit date: | 2022-04-13 | | Release date: | 2022-11-02 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | A cocktail of protective antibodies subverts the dense glycan shield of Lassa virus.
Sci Transl Med, 14, 2022
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7U9O
 | | SARS-CoV-2 spike trimer RBD in complex with Fab NE12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NE12 Fab heavy chain, NE12 Fab light chain, ... | | Authors: | Tsybovsky, Y, Kwong, P.D, Farci, P. | | Deposit date: | 2022-03-11 | | Release date: | 2022-11-23 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Potent monoclonal antibodies neutralize Omicron sublineages and other SARS-CoV-2 variants.
Cell Rep, 41, 2022
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7U9P
 | | SARS-CoV-2 spike trimer RBD in complex with Fab NA8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NA8 Fab heavy chain, NA8 Fab light chain, ... | | Authors: | Tsybovsky, Y, Kwong, P.D, Farci, P. | | Deposit date: | 2022-03-11 | | Release date: | 2022-11-23 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Potent monoclonal antibodies neutralize Omicron sublineages and other SARS-CoV-2 variants.
Cell Rep, 41, 2022
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7UOV
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2Y59
 | | Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein | | Descriptor: | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Sauvage, E, Zervosen, A, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | | Deposit date: | 2011-01-12 | | Release date: | 2011-07-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Unexpected Tricovalent Binding Mode of Boronic Acids within the Active Site of a Penicillin- Binding Protein.
J.Am.Chem.Soc., 133, 2011
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9UMB
 | | Structure of Modified adeno-associated viral vector, AAV5-BCD | | Descriptor: | Capsid protein | | Authors: | Zhang, H, Burtseva, A.D, Strelkova, A.N, Perepelkina, M.P, Iurlova, E.V, Gershovich, P.M, Prokof'ev, A.V, Kolesnichenko, A.S, Gulnova, A.R, Nurtdinov, R.F, Vasilev, A.A, Yakovlev, P.A, Popov, V.O, Boyko, K.M. | | Deposit date: | 2025-04-21 | | Release date: | 2025-04-30 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Structure of Modified adeno-associated viral vector, AAV5-BCD
To Be Published
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8DNT
 | | SARS-CoV-2 specific T cell receptor | | Descriptor: | Beta-2-microglobulin, MHC class I antigen alpha chain, Nucleoprotein, ... | | Authors: | Gallagher, D.T, Wu, D, Gowthaman, R, Pierce, B.G, Mariuzza, R.A, Weng, N.P. | | Deposit date: | 2022-07-11 | | Release date: | 2023-07-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | SARS-CoV-2 infection establishes a stable and age-independent CD8 + T cell response against a dominant nucleocapsid epitope using restricted T cell receptors.
Nat Commun, 14, 2023
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8EGU
 | | Branched chain ketoacid dehydrogenase kinase complexes | | Descriptor: | (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Liu, S. | | Deposit date: | 2022-09-13 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.923 Å) | | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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8EGD
 | | Branched chain ketoacid dehydrogenase kinase in complex with inhibitor | | Descriptor: | 5-(4-methoxyphenyl)-1H-tetrazole, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2022-09-12 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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8EGQ
 | | Branched chain ketoacid dehydrogenase kinase complexes | | Descriptor: | (2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Liu, S. | | Deposit date: | 2022-09-13 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.955 Å) | | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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8EGF
 | | Branched chain ketoacid dehydrogenase kinase in complex with inhibitor | | Descriptor: | (5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole, ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2022-09-12 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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5HYW
 | | The crystal structure of the D3-ASK1 complex | | Descriptor: | F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A | | Authors: | Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X. | | Deposit date: | 2016-02-02 | | Release date: | 2016-08-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | DWARF14 is a non-canonical hormone receptor for strigolactone
Nature, 536, 2016
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8EYN
 | | Crystal Structure of Human Mitochondrial NADP+ Malic Enzyme 3 in Apo Form | | Descriptor: | CITRIC ACID, NADP-dependent malic enzyme, mitochondrial | | Authors: | Shaffer, P.L, Grell, T.A.J, Mason, M, Thompson, A.A, Riley, D, Wagner, M.V, Steele, R, Ortiz-Meoz, R, Wadia, J, Sharma, S, Yu, X. | | Deposit date: | 2022-10-28 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
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