7FTW
 
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1H99
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1HC1
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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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7FU1
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6AYK
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6AZ0
 | | Mitochondrial ATPase Protease YME1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Puchades, C, Rampello, A.J, Shin, M, Giuliano, C, Wiseman, R.L, Glynn, S.E, Lander, G.C. | | Deposit date: | 2017-09-09 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the mitochondrial inner membrane AAA+ protease YME1 gives insight into substrate processing.
Science, 358, 2017
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1H86
 | | COVALENT ADDUCT BETWEEN POLYAMINE OXIDASE AND N1ethylN11((cycloheptyl)methyl)4,8diazaundecane at pH 7.0 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-1,1-DIOL, ... | | Authors: | Binda, C, Coda, A, Angelini, R, Federico, R, Ascenzi, P, Mattevi, A. | | Deposit date: | 2001-01-24 | | Release date: | 2001-01-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Bases for Inhibitor Binding and Catalysis in Polyamine Oxidase
Biochemistry, 40, 2001
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1LDM
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6BES
 | | Solution structure of de novo macrocycle design11_ss | | Descriptor: | (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN) | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-25 | | Release date: | 2017-12-27 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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1HAG
 | | THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, PRETHROMBIN 2 | | Authors: | Tulinsky, A, Vijayalakshmi, J. | | Deposit date: | 1994-06-27 | | Release date: | 1994-12-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin.
Protein Sci., 3, 1994
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1KZA
 | | Complex of MBP-C and Man-a13-Man | | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN C, ... | | Authors: | Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
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1HB7
 | | quasi-atomic resolution model of bacteriophage PRD1 sus1 mutant, obtained by combined cryo-EM and X-ray crystallography. | | Descriptor: | BACTERIOPHAGE PRD1 SUS1 MUTANT CAPSID | | Authors: | San Martin, C, Burnett, R.M, De Haas, F, Heinkel, R, Rutten, T, Fuller, S.D, Butcher, S.J, Bamford, D.H. | | Deposit date: | 2001-04-12 | | Release date: | 2001-12-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (14 Å) | | Cite: | Combined Em/X-Ray Imaging Yields a Quasi-Atomic Model of the Adenovirus-Related Bacteriophage Prd1 and Shows Key Capsid and Membrane Interactions.
Structure, 9, 2001
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6B55
 | | Crystal structure of the Plant Defensin NaD1 complexed with phosphatidic acid | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, 1,2-ETHANEDIOL, Flower-specific defensin, ... | | Authors: | Jarva, M, Phan, K, Humble, C, Lay, F.T, Hulett, M, Kvansakul, M. | | Deposit date: | 2017-09-28 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray structure of a carpet-like antimicrobial defensin-phospholipid membrane disruption complex.
Nat Commun, 9, 2018
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6BF3
 | | Solution structure of de novo macrocycle design7.3a | | Descriptor: | QDP(DPR)K(2TL)(DAS) | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-25 | | Release date: | 2018-01-10 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6BE7
 | | Solution structure of de novo macrocycle Design8.1 | | Descriptor: | DDPT(DPR)(DAR)Q(DGN) | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-24 | | Release date: | 2018-01-03 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6BEN
 | | Solution structure of de novo macrocycle design8.2 | | Descriptor: | (DAR)Q(DPR)(DGN)R(DGL)PQ | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B. | | Deposit date: | 2017-10-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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1KYI
 | | HslUV (H. influenzae)-NLVS Vinyl Sulfone Inhibitor Complex | | Descriptor: | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent hsl protease ATP-binding subunit hslU, ... | | Authors: | Sousa, M.C, Kessler, B.M, Overkleeft, H.S, McKay, D.B. | | Deposit date: | 2002-02-04 | | Release date: | 2002-05-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structure of HslUV Complexed with a Vinyl Sulfone Inhibitor:
Corroboration of a Proposed Mechanism of Allosteric Activation of
HslV by HslU
J.Mol.Biol., 318, 2002
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6B2S
 | | Crystal structure of Xanthomonas campestris OleA H285N | | Descriptor: | 3-oxoacyl-[ACP] synthase III, GLYCEROL, PHOSPHATE ION | | Authors: | Jensen, M.R, Goblirsch, B.R, Esler, M.A, Christenson, J.K, Mohamed, F.A, Wackett, L.P, Wilmot, C.M. | | Deposit date: | 2017-09-20 | | Release date: | 2018-02-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The role of OleA His285 in orchestration of long-chain acyl-coenzyme A substrates.
FEBS Lett., 592, 2018
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6B4C
 | | Structure of Viperin from Trichoderma virens | | Descriptor: | CITRATE ANION, SULFATE ION, Viperin | | Authors: | Huang, R.H, Selvadurai, K. | | Deposit date: | 2017-09-26 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.795 Å) | | Cite: | Reconstitution and substrate specificity for isopentenyl pyrophosphate of the antiviral radical SAM enzyme viperin.
J.Biol.Chem., 293, 2018
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1H31
 | | Oxidised SoxAX complex from Rhodovulum sulfidophilum | | Descriptor: | CYTOCHROME C, DIHEME CYTOCHROME C, HEME C | | Authors: | Bamford, V.A, Bruno, S, Rasmussen, T, Appia-Ayme, C, Cheesman, M.R, Berks, B.C, Hemmings, A.M. | | Deposit date: | 2002-08-21 | | Release date: | 2002-11-07 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Basis for the Oxidation of Thiosulfate by a Sulfur Cycle Enzyme
Embo J., 21, 2002
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1L4D
 | | CRYSTAL STRUCTURE OF MICROPLASMINOGEN-STREPTOKINASE ALPHA DOMAIN COMPLEX | | Descriptor: | PLASMINOGEN, STREPTOKINASE, SULFATE ION | | Authors: | Wakeham, N, Terzyan, S, Zhai, P, Loy, J.A, Tang, J, Zhang, X.C. | | Deposit date: | 2002-03-04 | | Release date: | 2002-12-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Effects of deletion of streptokinase residues 48-59 on plasminogen activation
PROTEIN ENG., 15, 2002
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6B7E
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-4-(5-(difluoromethyl)-1H-imidazol-1-yl)-3,3-dimethylisochroman-1-one | | Descriptor: | (4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | | Deposit date: | 2017-10-03 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
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1LIC
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1HA1
 | | HNRNP A1 (RBD1,2) FROM HOMO SAPIENS | | Descriptor: | HNRNP A1 | | Authors: | Shamoo, Y, Krueger, U, Rice, L, Williams, K.R, Steitz, T.A. | | Deposit date: | 1996-10-30 | | Release date: | 1997-05-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of the two RNA binding domains of human hnRNP A1 at 1.75 A resolution.
Nat.Struct.Biol., 4, 1997
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