7PGD
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![BU of 7pgd by Molmil](/molmil-images/mine/7pgd) | PAF in 50 v/v % DMSO-water solution | Descriptor: | Pc24g00380 protein | Authors: | Czajlik, A, Batta, G. | Deposit date: | 2021-08-13 | Release date: | 2022-08-24 | Last modified: | 2023-02-15 | Method: | SOLUTION NMR | Cite: | DMSO-Induced Unfolding of the Antifungal Disulfide Protein PAF and Its Inactive Variant: A Combined NMR and DSC Study. Int J Mol Sci, 24, 2023
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6MMZ
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![BU of 6mmz by Molmil](/molmil-images/mine/6mmz) | Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H29A mutant apoenzyme | Descriptor: | Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, SULFATE ION | Authors: | Stogios, P.J, Skarina, T, Xu, Z, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-10-01 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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5JMG
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![BU of 5jmg by Molmil](/molmil-images/mine/5jmg) | X-ray structure of the complex between bovine pancreatic ribonuclease and pentachlorocarbonyliridate(III) (4 days of soaking) | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, IRIDIUM ION, ... | Authors: | Caterino, M, Petruk, A.A, Vergara, A, Ferraro, G, Merlino, A. | Deposit date: | 2016-04-29 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules. Dalton Trans, 45, 2016
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8BMZ
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![BU of 8bmz by Molmil](/molmil-images/mine/8bmz) | Bacteroides thetaiotaomicron surface lipoprotein BT1954 bound to adenosylcobalamin | Descriptor: | Adenosylcobalamin, CHLORIDE ION, Putative surface layer protein, ... | Authors: | Abellon-Ruiz, J, Jana, K, Silale, A, Basle, A, Kleinekathofer, U, van den Berg, B. | Deposit date: | 2022-11-11 | Release date: | 2023-08-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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5JML
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![BU of 5jml by Molmil](/molmil-images/mine/5jml) | X-ray structure of the complex between bovine pancreatic ribonuclease and penthachlorocarbonyliridate(III) (2 months of soaking) | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, IRIDIUM ION, ... | Authors: | Caterino, M, Petruk, A.A, Vergara, A, Ferraro, G, Merlino, A. | Deposit date: | 2016-04-29 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules. Dalton Trans, 45, 2016
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1PXV
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![BU of 1pxv by Molmil](/molmil-images/mine/1pxv) | The staphostatin-staphopain complex: a forward binding inhibitor in complex with its target cysteine protease | Descriptor: | GUANIDINE, SULFATE ION, cysteine protease, ... | Authors: | Filipek, R, Rzychon, M, Oleksy, A, Gruca, M, Dubin, A, Potempa, J, Bochtler, M. | Deposit date: | 2003-07-07 | Release date: | 2003-10-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Staphostatin-Staphopain Complex: A FORWARD BINDING INHIBITOR IN COMPLEX WITH ITS TARGET CYSTEINE PROTEASE. J.Biol.Chem., 278, 2003
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6AY4
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![BU of 6ay4 by Molmil](/molmil-images/mine/6ay4) | Naegleria fowleri CYP51-fluconazole complex | Descriptor: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYP51, ... | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | Deposit date: | 2017-09-07 | Release date: | 2017-11-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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6MN4
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![BU of 6mn4 by Molmil](/molmil-images/mine/6mn4) | Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with apramycin | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, APRAMYCIN, ... | Authors: | Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-10-01 | Release date: | 2018-10-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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8I9I
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![BU of 8i9i by Molmil](/molmil-images/mine/8i9i) | |
5MAY
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![BU of 5may by Molmil](/molmil-images/mine/5may) | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 2-Thiophenesulfonamide-N-(beta-L-fucopyranosyl methyl) | Descriptor: | CALCIUM ION, Fucose-binding lectin PA-IIL, N-methyl-2-thiophenesulfonamide, ... | Authors: | Sommer, R, Imberty, A, Titz, A, Varrot, A. | Deposit date: | 2016-11-07 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Glycomimetic, Orally Bioavailable LecB Inhibitors Block Biofilm Formation of Pseudomonas aeruginosa. J. Am. Chem. Soc., 140, 2018
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8I8P
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![BU of 8i8p by Molmil](/molmil-images/mine/8i8p) | Crystal structure of the complex of phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephosphocoenzyme-A at 2.19 A resolution. | Descriptor: | CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ... | Authors: | Ahmad, N, Viswanathan, V, Gupta, A, Sharma, P, Sharma, S, Singh, T.P. | Deposit date: | 2023-02-04 | Release date: | 2023-04-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure of the complex of phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephosphocoenzyme-A at 2.19 A resolution. To Be Published
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8BMY
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![BU of 8bmy by Molmil](/molmil-images/mine/8bmy) | Bacteroides thetaiotaomicron surface lipoprotein bound to cyanocobalamin | Descriptor: | CHLORIDE ION, CYANOCOBALAMIN, Putative surface layer protein, ... | Authors: | Abellon-Ruiz, J, Jana, K, Silale, A, Basle, A, Kleinekathofer, U, van den Berg, B. | Deposit date: | 2022-11-11 | Release date: | 2023-08-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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6MRG
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![BU of 6mrg by Molmil](/molmil-images/mine/6mrg) | FAAH bound to non covalent inhibitor | Descriptor: | (1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol, Fatty-acid amide hydrolase 1 | Authors: | Saha, A, Shih, A, Mirzadegan, T, Seierstad, M. | Deposit date: | 2018-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation. J Chem Theory Comput, 14, 2018
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6MSW
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![BU of 6msw by Molmil](/molmil-images/mine/6msw) | Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans, K184L mutant | Descriptor: | Deoxyribose-phosphate aldolase, GLYCEROL | Authors: | Stogios, P.J, Skarina, T, Kim, T, Yim, V, Yakunin, A, Savchenko, A. | Deposit date: | 2018-10-18 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.169 Å) | Cite: | Rational engineering of 2-deoxyribose-5-phosphate aldolases for the biosynthesis of (R)-1,3-butanediol. J.Biol.Chem., 295, 2020
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3J0S
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![BU of 3j0s by Molmil](/molmil-images/mine/3j0s) | Remodeling of actin filaments by ADF cofilin proteins | Descriptor: | Actin, cytoplasmic 1, Cofilin-2 | Authors: | Galkin, V.E, Orlova, A, Kudryashov, D.S, Solodukhin, A, Reisler, E, Schroeder, G.F, Egelman, E.H. | Deposit date: | 2011-11-24 | Release date: | 2011-12-21 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Remodeling of actin filaments by ADF/cofilin proteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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8BN0
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![BU of 8bn0 by Molmil](/molmil-images/mine/8bn0) | Bacteroides thetaiotaomicron surface protein BT1954 bound to | Descriptor: | CHLORIDE ION, COB(II)INAMIDE, CYANIDE ION, ... | Authors: | Abellon-Ruiz, J, Jana, K, Silale, A, Basle, A, Kleinekathofer, U, van den Berg, B. | Deposit date: | 2022-11-11 | Release date: | 2023-08-16 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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8QPH
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![BU of 8qph by Molmil](/molmil-images/mine/8qph) | Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | Deposit date: | 2023-10-02 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source To Be Published
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6B45
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![BU of 6b45 by Molmil](/molmil-images/mine/6b45) | Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex | Descriptor: | CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, CRISPR-associated protein Csy2, ... | Authors: | Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S. | Deposit date: | 2017-09-25 | Release date: | 2017-10-18 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex. Cell, 171, 2017
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1PVM
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![BU of 1pvm by Molmil](/molmil-images/mine/1pvm) | Crystal Structure of a Conserved CBS Domain Protein TA0289 of Unknown Function from Thermoplasma acidophilum | Descriptor: | MERCURY (II) ION, conserved hypothetical protein Ta0289 | Authors: | Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Xu, L, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-06-27 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biochemical and structural characterization of a novel family of cystathionine beta-synthase domain proteins fused to a Zn ribbon-like domain J.Mol.Biol., 375, 2008
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8BO4
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![BU of 8bo4 by Molmil](/molmil-images/mine/8bo4) | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1 | Descriptor: | 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8IGR
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![BU of 8igr by Molmil](/molmil-images/mine/8igr) | Cryo-EM structure of CII-dependent transcription activation complex | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Zhao, M, Gao, B, Wen, A, Feng, Y, Lu, Y. | Deposit date: | 2023-02-21 | Release date: | 2023-05-17 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of lambda CII-dependent transcription activation. Structure, 31, 2023
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8BO3
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![BU of 8bo3 by Molmil](/molmil-images/mine/8bo3) | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian | Descriptor: | 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8BO5
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![BU of 8bo5 by Molmil](/molmil-images/mine/8bo5) | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3 | Descriptor: | 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide, CITRIC ACID, Coagulation factor XIa light chain, ... | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8IGS
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![BU of 8igs by Molmil](/molmil-images/mine/8igs) | Cryo-EM structure of RNAP-promoter open complex at lambda promoter PRE | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Zhao, M, Gao, B, Wen, A, Feng, Y, Lu, Y. | Deposit date: | 2023-02-21 | Release date: | 2023-05-17 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of lambda CII-dependent transcription activation. Structure, 31, 2023
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4XC3
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![BU of 4xc3 by Molmil](/molmil-images/mine/4xc3) | Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 gp41; crystals cryoprotected with rac-glycerol 1-phosphate | Descriptor: | 4E10 Fab heavy chain, 4E10 Fab light chain, MODIFIED FRAGMENT OF HIV-1 GLYCOPROTEIN (GP41) INCLUDING THE MPER REGION 671-683, ... | Authors: | Irimia, A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2014-12-17 | Release date: | 2016-02-03 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10. Immunity, 44, 2016
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