7UNJ
| De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester matching geometry of purple bacterial special pair, SP1-ZnPPaM | Descriptor: | 1,2-ETHANEDIOL, SP1-ZnPPaM designed chlorophyll dimer protein, SULFATE ION, ... | Authors: | Kennedy, M.A, Stoddard, B.L, Ennist, N.M. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | De novo design of proteins housing excitonically coupled chlorophyll special pairs. Nat.Chem.Biol., 2024
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7UNH
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7UNI
| De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester, SP2-ZnPPaM | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, SP2-ZnPPaM designed chlorophyll dimer protein, ... | Authors: | Kennedy, M.A, Stoddard, B.L, Ennist, N.M. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | De novo design of proteins housing excitonically coupled chlorophyll special pairs. Nat.Chem.Biol., 2024
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1MOW
| E-DreI | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*AP*GP*TP*TP*CP*CP*GP*GP*CP*G)-3', 5'-D(*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*GP*G)-3', GLYCEROL, ... | Authors: | Chevalier, B.S, Kortemme, T, Chadsey, M.S, Baker, D, Monnat Jr, R.J, Stoddard, B.L. | Deposit date: | 2002-09-10 | Release date: | 2002-11-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, Activity and Structure of a Highly Specific Artificial Endonuclease Mol.Cell, 10, 2002
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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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1N3F
| Crystal structure of I-CreI bound to a palindromic DNA sequence II (palindrome of right side of wildtype DNA target sequence) | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*GP*A)-3', 5'-D(P*GP*AP*CP*AP*GP*TP*TP*TP*CP*G-3'), CALCIUM ION, ... | Authors: | Chevalier, B, Turmel, M, Lemieux, C, Monnat, R.J, Stoddard, B.L. | Deposit date: | 2002-10-28 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Flexible DNA Target Site Recognition by Divergent Homing Endonuclease Isoschizomers I-CreI and I-MsoI J.Mol.Biol., 329, 2003
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1N3E
| Crystal structure of I-CreI bound to a palindromic DNA sequence I (palindrome of left side of wildtype DNA target sequence) | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*C)-3', 5'-D(P*GP*AP*CP*GP*TP*TP*TP*TP*CP*G)-3', CALCIUM ION, ... | Authors: | Chevalier, B, Turmel, M, Lemieux, C, Monnat, R.J, Stoddard, B.L. | Deposit date: | 2002-10-28 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Flexible DNA Target Site Recognition by Divergent Homing Endonuclease Isoschizomers I-CreI and I-MsoI J.Mol.Biol., 329, 2003
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5JSN
| Bcl2-inhibitor complex | Descriptor: | Apoptosis regulator Bcl-2, Bcl2 inhibitor | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2016-05-09 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
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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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5TH3
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7LVV
| cryoEM structure DrdV-DNA complex | Descriptor: | CALCIUM ION, DNA (27-MER), DNA (28-MER), ... | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2021-02-26 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Coordination of phage genome degradation versus host genome protection by a bifunctional restriction-modification enzyme visualized by CryoEM. Structure, 29, 2021
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7LO5
| cryoEM structure DrdV-DNA complex | Descriptor: | CALCIUM ION, DNA (27-MER), DNA (28-MER), ... | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2021-02-09 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Coordination of phage genome degradation versus host genome protection by a bifunctional restriction-modification enzyme visualized by CryoEM. Structure, 29, 2021
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3KO2
| I-MsoI re-designed for altered DNA cleavage specificity (-7C) | Descriptor: | 5'-D(*CP*GP*GP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*GP*TP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*AP*CP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*CP*CP*G)-3', CALCIUM ION, ... | Authors: | Taylor, G.K, Stoddard, B.L. | Deposit date: | 2009-11-13 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs. Nucleic Acids Res., 38, 2010
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3LDY
| An extraordinary mechanism of DNA perturbation exhibited by the rare-cutting HNH restriction endonuclease PacI | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*AP*GP*GP*CP*TP*TP*A)-3'), DNA (5'-D(P*AP*TP*TP*AP*AP*GP*CP*CP*TP*C)-3'), ... | Authors: | Shen, B.W, Heiter, D, Chan, S.-H, Xu, S.-Y, Wilson, G, Stoddard, B.L. | Deposit date: | 2010-01-13 | Release date: | 2010-04-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Unusual target site disruption by the rare-cutting HNH restriction endonuclease PacI. Structure, 18, 2010
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2ERH
| Crystal Structure of the E7_G/Im7_G complex; a designed interface between the colicin E7 DNAse and the Im7 immunity protein | Descriptor: | Colicin E7, Colicin E7 immunity protein | Authors: | Joachimiak, L.A, Kortemme, T, Stoddard, B.L, Baker, D. | Deposit date: | 2005-10-24 | Release date: | 2006-07-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational Design of a New Hydrogen Bond Network and at Least a 300-fold Specificity Switch at a Protein-Protein Interface. J.Mol.Biol., 361, 2006
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2EX5
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2FLD
| I-MsoI Re-Designed for Altered DNA Cleavage Specificity | Descriptor: | 5'-D(*CP*GP*GP*AP*AP*CP*GP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*CP*TP*TP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*AP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*CP*GP*TP*TP*CP*CP*G)-3', CALCIUM ION, ... | Authors: | Ashworth, J, Duarte, C.M, Havranek, J.J, Sussman, D, Monnat, R.J, Stoddard, B.L, Baker, D. | Deposit date: | 2006-01-05 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational redesign of endonuclease DNA binding and cleavage specificity. Nature, 441, 2006
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8ETQ
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8FLX
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1YSB
| Yeast Cytosine Deaminase Triple Mutant | Descriptor: | CALCIUM ION, Cytosine deaminase, ZINC ION | Authors: | Korkegian, A, Black, M.E, Baker, D, Stoddard, B.L. | Deposit date: | 2005-02-08 | Release date: | 2005-05-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Computational thermostabilization of an enzyme. Science, 308, 2005
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1YSD
| Yeast Cytosine Deaminase Double Mutant | Descriptor: | CALCIUM ION, Cytosine deaminase, ZINC ION | Authors: | Korkegian, A, Black, M.E, Baker, D, Stoddard, B.L. | Deposit date: | 2005-02-08 | Release date: | 2005-05-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computational thermostabilization of an enzyme. Science, 308, 2005
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299D
| CAPTURING THE STRUCTURE OF A CATALYTIC RNA INTERMEDIATE: THE HAMMERHEAD RIBOZYME | Descriptor: | RNA HAMMERHEAD RIBOZYME | Authors: | Scott, W.G, Murray, J.B, Arnold, J.R.P, Stoddard, B.L, Klug, A. | Deposit date: | 1996-12-14 | Release date: | 1997-01-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Capturing the structure of a catalytic RNA intermediate: the hammerhead ribozyme. Science, 274, 1996
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1IQD
| Human Factor VIII C2 Domain complexed to human monoclonal BO2C11 Fab. | Descriptor: | HUMAN FACTOR VIII, HUMAN MONOCLONAL BO2C11 FAB HEAVY CHAIN, HUMAN MONOCLONAL BO2C11 FAB LIGHT CHAIN | Authors: | Spiegel Jr, P.C, Jacquemin, M, Saint-Remy, J.M, Stoddard, B.L, Pratt, K.P. | Deposit date: | 2001-07-21 | Release date: | 2001-08-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a factor VIII C2 domain-immunoglobulin G4kappa Fab complex: identification of an inhibitory antibody epitope on the surface of factor VIII. Blood, 98, 2001
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1G9Y
| HOMING ENDONUCLEASE I-CREI / DNA SUBSTRATE COMPLEX WITH CALCIUM | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*CP*G)-3', CALCIUM ION, ... | Authors: | Chevalier, B, Monnat, R.J, Stoddard, B.L. | Deposit date: | 2000-11-28 | Release date: | 2001-04-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The homing endonuclease I-CreI uses three metals, one of which is shared between the two active sites. Nat.Struct.Biol., 8, 2001
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1G9Z
| LAGLIDADG HOMING ENDONUCLEASE I-CREI / DNA PRODUCT COMPLEX WITH MAGNESIUM | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*A)-3', 5'-D(P*GP*AP*CP*AP*GP*TP*TP*TP*CP*G)-3', ... | Authors: | Chevalier, B, Monnat, R.J, Stoddard, B.L. | Deposit date: | 2000-11-28 | Release date: | 2001-04-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The homing endonuclease I-CreI uses three metals, one of which is shared between the two active sites. Nat.Struct.Biol., 8, 2001
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