6UOS
 
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7LC4
 | | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with gamma-lactam YU253911 | | Descriptor: | 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | van den Akker, F, Kumar, V. | | Deposit date: | 2021-01-09 | | Release date: | 2021-04-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A gamma-lactam siderophore antibiotic effective against multidrug-resistant Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter spp.
Eur.J.Med.Chem., 220, 2021
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1J06
 | | Crystal structure of mouse acetylcholinesterase in the apo form | | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | | Deposit date: | 2002-11-07 | | Release date: | 2003-02-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site
EMBO J., 22, 2003
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6UOW
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2Q04
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6UP4
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2POE
 | | Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 | | Descriptor: | Cyclophilin-like protein, putative, FORMIC ACID | | Authors: | Wernimont, A.K, Lew, J, Hills, T, Hassanali, A, Lin, L, Wasney, G, Zhao, Y, Kozieradzki, I, Vedadi, M, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-04-26 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660.
To be Published
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1J84
 | | STRUCTURE OF FAM17 CARBOHYDRATE BINDING MODULE FROM CLOSTRIDIUM CELLULOVORANS WITH BOUND CELLOTETRAOSE | | Descriptor: | CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, endo-1,4-beta glucanase EngF | | Authors: | Notenboom, V, Boraston, A.B, Chiu, P, Freelove, A.C.J, Kilburn, D.G, Rose, D.R. | | Deposit date: | 2001-05-20 | | Release date: | 2001-12-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Recognition of cello-oligosaccharides by a family 17 carbohydrate-binding module: an X-ray crystallographic, thermodynamic and mutagenic study.
J.Mol.Biol., 314, 2001
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6UP3
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6PK6
 | | Human PRPF4B bound to benzothiophene inhibitor 329 | | Descriptor: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-28 | | Release date: | 2019-08-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | to be published
To Be Published
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2PQC
 | | CP4 EPSPS liganded with (R)-phosphonate tetrahedral reaction intermediate analog | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID | | Authors: | Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E. | | Deposit date: | 2007-05-01 | | Release date: | 2008-03-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
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7LGK
 | | Crystal structure of soluble guanylate cyclase activator runcaciguat (BAY 1101042) bound to nostoc H-NOX domain | | Descriptor: | CHLORIDE ION, GLYCEROL, H-NOX domain protein, ... | | Authors: | van den Akker, F, Kumar, V, Schaefer, M. | | Deposit date: | 2021-01-20 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042).
J.Med.Chem., 64, 2021
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8FXW
 | | Cryo-EM structure of cowpox virus M2 in complex with human B7.1 (hexameric ring) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CPXV040 protein, T-lymphocyte activation antigen CD80 | | Authors: | Elliott, J.I, Adams, L.J, Nelson, C.A, Fremont, D.H, CSBID, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2023-01-25 | | Release date: | 2025-02-05 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure basis of poxvirus mediated sabotage of T-cell costimulation
To Be Published
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6P05
 | | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27 | | Descriptor: | Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | | Authors: | Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R. | | Deposit date: | 2019-05-16 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
J.Med.Chem., 63, 2020
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7KZI
 | | Intermediate state (QQQ) of near full-length DnaK alternatively fused with a substrate peptide | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chaperone protein DnaK fused with substrate peptide,Chaperone protein DnaK fused with substrate peptide, ... | | Authors: | Wang, W, Hendrickson, W.A. | | Deposit date: | 2020-12-10 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Intermediates in allosteric equilibria of DnaK-ATP interactions with substrate peptides
Acta Crystallogr.,Sect.D, 77, 2021
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2PR6
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7L0C
 | | Ligand-free PTP1B T177G | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Shen, R.D, Hengge, A.C, Johnson, S.J. | | Deposit date: | 2020-12-11 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
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8FXZ
 | | Cryo-EM structure of cowpox virus M2 in complex with human B7.1 (heptameric ring) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CPXV040 protein, T-lymphocyte activation antigen CD80 | | Authors: | Elliott, J.I, Adams, L.J, Nelson, C.A, Fremont, D.H, CSBID | | Deposit date: | 2023-01-25 | | Release date: | 2025-02-05 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structure basis of poxvirus mediated sabotage of T-cell costimulation
To Be Published
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2PT2
 | | Structure of FutA1 with Iron(II) | | Descriptor: | 1,2-ETHANEDIOL, FE (II) ION, Iron transport protein, ... | | Authors: | Koropatkin, N.M, Randich, A.M, Bhattachryya-Pakrasi, M, Pakrasi, H.B, Smith, T.J. | | Deposit date: | 2007-05-07 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of the iron-binding protein, FutA1, from Synechocystis 6803.
J.Biol.Chem., 282, 2007
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8FT9
 | | Crystal structure of a new antigen receptor variable domain from nurse sharks | | Descriptor: | GLYCEROL, PHOSPHATE ION, VNAR B6 | | Authors: | Yerabham, A.S.K, Hsieh, C.M, Fu, Y, Bou-Nader, C, Cachau, R, Zhang, J, Ho, M. | | Deposit date: | 2023-01-11 | | Release date: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Crystal structure of a new antigen receptor variable domain from nurse sharks
To Be Published
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8G7D
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7L0I
 | | Ligand-free YopH G352T | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Protein-tyrosine-phosphatase | | Authors: | Shen, R.D, Hengge, A.C, Johnson, S.J. | | Deposit date: | 2020-12-11 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
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7KZU
 | | Quasi-intermediate state (Q) of a truncated Hsp70 DnaK fused with a substrate peptide | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK fused with substrate peptide,Chaperone protein DnaK fused with substrate peptide, GLYCEROL, ... | | Authors: | Wang, W, Hendrickson, W.A. | | Deposit date: | 2020-12-10 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Intermediates in allosteric equilibria of DnaK-ATP interactions with substrate peptides
Acta Crystallogr.,Sect.D, 77, 2021
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6P1A
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8G81
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