1P8K
 
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1IKA
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3HOJ
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4GCH
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1D4K
 | | HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR | | Descriptor: | HIV-1 PROTEASE, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE, SULFATE ION | | Authors: | Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P. | | Deposit date: | 1999-10-04 | | Release date: | 2000-10-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
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1D4L
 | | HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR | | Descriptor: | (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE, HIV-1 PROTEASE, SULFATE ION | | Authors: | Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P. | | Deposit date: | 1999-10-04 | | Release date: | 2000-10-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
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1U3E
 | | DNA binding and cleavage by the HNH homing endonuclease I-HmuI | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 36-MER, ... | | Authors: | Shen, B.W, Landthaler, M, Shub, D.A, Stoddard, B.L. | | Deposit date: | 2004-07-21 | | Release date: | 2004-08-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | DNA Binding and Cleavage by the HNH Homing Endonuclease I-HmuI.
J.Mol.Biol., 342, 2004
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6EG7
 | | BbvCI B2 dimer with I3C clusters | | Descriptor: | 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, BbvCI endonuclease subunit 2, ... | | Authors: | Shen, B.W, Stoddard, B.L. | | Deposit date: | 2018-08-19 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
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5BVB
 | | Engineered Digoxigenin binder DIG5.1a | | Descriptor: | DIG5.1a, DIGOXIGENIN | | Authors: | Doyle, L.A, Stoddard, B.L. | | Deposit date: | 2015-06-04 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
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1UJZ
 | | Crystal structure of the E7_C/Im7_C complex; a computationally designed interface between the colicin E7 DNase and the Im7 Immunity protein | | Descriptor: | Designed Colicin E7 DNase, Designed Colicin E7 immunity protein | | Authors: | Kortemme, T, Joachimiak, L.A, Bullock, A.N, Schuler, A.D, Stoddard, B.L, Baker, D. | | Deposit date: | 2003-08-13 | | Release date: | 2004-04-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Computational redesign of protein-protein interaction specificity
NAT.STRUCT.MOL.BIOL., 11, 2004
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6XR2
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4QQ8
 | | Crystal structure of the formolase FLS in space group P 43 21 2 | | Descriptor: | 1,2-ETHANEDIOL, Formolase, MAGNESIUM ION, ... | | Authors: | Shen, B.W, Siegel, J.B, Stoddard, B.L. | | Deposit date: | 2014-06-26 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6XR1
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6M9G
 | | BbvCI B2 dimer with Ta6Br14 clusters | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BROMIDE ION, ... | | Authors: | Shen, B.W, Stoddard, B.L. | | Deposit date: | 2018-08-23 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
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6MAG
 | | native BbvCI B2 dimer in space group C222 | | Descriptor: | ACETATE ION, BbvCI endonuclease subunit 2, GLYCEROL, ... | | Authors: | Shen, B.W, Stoddard, B.L. | | Deposit date: | 2018-08-27 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
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5E67
 | | K103A/K262A double mutant of I-SmaMI | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA bottom strand, ... | | Authors: | Shen, B.W, Stoddard, B. | | Deposit date: | 2015-10-09 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016
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6UVW
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4R58
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6UWK
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6UWH
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6UWJ
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6UWG
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5JSB
 | | Crystal structure of Mcl1-inhibitor complex | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor | | Authors: | Shen, B.W, Stoddard, B.L. | | Deposit date: | 2016-05-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer.
Elife, 5, 2016
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7R9G
 | | Catalytically inactive yeast Pseudouridine Synthase, PUS1, bound to RNA | | Descriptor: | CHLORIDE ION, RNA (5'-R(*AP*AP*AP*UP*CP*GP*GP*GP*AP*UP*UP*CP*CP*GP*GP*AP*UP*A)-3'), SULFATE ION, ... | | Authors: | Doyle, L.A, Stoddard, B.L. | | Deposit date: | 2021-06-29 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structural basis of mRNA recognition and binding by yeast pseudouridine synthase PUS1.
Plos One, 18, 2023
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7RCF
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