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5GCH
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BU of 5gch by Molmil
CHEMISTRY OF CAGED ENZYMES /II$. PHOTOACTIVATION OF INHIBITED CHYMOTRYPSIN
Descriptor: GAMMA-CHYMOTRYPSIN A
Authors:Stoddard, B.L, Ringe, D, Petsko, G.A.
Deposit date:1989-09-25
Release date:1990-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Photolysis and deacylation of inhibited chymotrypsin.
Biochemistry, 29, 1990
1IKA
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BU of 1ika by Molmil
STRUCTURE OF ISOCITRATE DEHYDROGENASE WITH ALPHA-KETOGLUTARATE AT 2.7 ANGSTROMS RESOLUTION: CONFORMATIONAL CHANGES INDUCED BY DECARBOXYLATION OF ISOCITRATE
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, ISOCITRATE DEHYDROGENASE
Authors:Stoddard, B.L, Koshland Junior, D.E.
Deposit date:1993-06-15
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of isocitrate dehydrogenase with alpha-ketoglutarate at 2.7-A resolution: conformational changes induced by decarboxylation of isocitrate.
Biochemistry, 32, 1993
3SDP
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BU of 3sdp by Molmil
THE 2.1 ANGSTROMS RESOLUTION STRUCTURE OF IRON SUPEROXIDE DISMUTASE FROM PSEUDOMONAS OVALIS
Descriptor: FE (III) ION, IRON SUPEROXIDE DISMUTASE
Authors:Stoddard, B.L, Ringe, D, Petsko, G.A.
Deposit date:1991-05-06
Release date:1993-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 2.1-A resolution structure of iron superoxide dismutase from Pseudomonas ovalis.
Biochemistry, 29, 1990
4GCH
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BU of 4gch by Molmil
STRUCTURE AND ACTIVITY OF TWO PHOTOREVERSIBLE CINNAMATES BOUND TO CHYMOTRYPSIN
Descriptor: 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-2-METHYL-PROPIONIC ACID, GAMMA-CHYMOTRYPSIN A
Authors:Stoddard, B.L, Ringe, D, Petsko, G.A.
Deposit date:1989-09-25
Release date:1990-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and activity of two photoreversible cinnamates bound to chymotrypsin.
Biochemistry, 29, 1990
4Z1X
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BU of 4z1x by Molmil
Crystal structure of LAGLIDADG homing endonuclease I-GzeII in complex with DNA target
Descriptor: CALCIUM ION, DNA (27-MER), LAGLIDADG endonuclease
Authors:Stoddard, B.L, Lambert, A.R, Kulshina, N.
Deposit date:2015-03-27
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of LAGLIDADG homing endonuclease I-GzeII in complex with DNA target
To Be Published
1BL5
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BU of 1bl5 by Molmil
ISOCITRATE DEHYDROGENASE FROM E. COLI SINGLE TURNOVER LAUE STRUCTURE OF RATE-LIMITED PRODUCT COMPLEX, 10 MSEC TIME RESOLUTION
Descriptor: 2-OXOGLUTARIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION, ...
Authors:Stoddard, B.L, Cohen, B, Brubaker, M, Mesecar, A, Koshland Junior, D.E.
Deposit date:1998-07-23
Release date:1999-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Millisecond Laue structures of an enzyme-product complex using photocaged substrate analogs.
Nat.Struct.Biol., 5, 1998
3GCH
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BU of 3gch by Molmil
CHEMISTRY OF CAGED ENZYMES. BINDING OF PHOTOREVERSIBLE CINNAMATES TO CHYMOTRYPSIN
Descriptor: GAMMA-CHYMOTRYPSIN, TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE
Authors:Stoddard, B.L, Ringe, D, Petsko, G.A.
Deposit date:1989-09-25
Release date:1990-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and activity of two photoreversible cinnamates bound to chymotrypsin.
Biochemistry, 29, 1990
1AI2
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BU of 1ai2 by Molmil
ISOCITRATE DEHYDROGENASE COMPLEXED WITH ISOCITRATE, NADP+, AND CALCIUM (FLASH-COOLED)
Descriptor: ISOCITRATE CALCIUM COMPLEX, ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Stoddard, B.L, Mesecar, A, Koshland Junior, D.E.
Deposit date:1997-04-30
Release date:1997-10-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences.
Science, 277, 1997
1AI3
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BU of 1ai3 by Molmil
ORBITAL STEERING IN THE CATALYTIC POWER OF ENZYMES: SMALL STRUCTURAL CHANGES WITH LARGE CATALYTIC CONSEQUENCES
Descriptor: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ...
Authors:Stoddard, B.L, Mesecar, A, Koshland Junior, D.E.
Deposit date:1997-04-30
Release date:1997-11-12
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences.
Science, 277, 1997
5IER
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BU of 5ier by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
5IF6
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BU of 5if6 by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
2R7E
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BU of 2r7e by Molmil
Crystal Structure Analysis of Coagulation Factor VIII
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ...
Authors:Stoddard, B.L, Shen, B.W.
Deposit date:2007-09-07
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The tertiary structure and domain organization of coagulation factor VIII.
Blood, 111, 2008
5T2H
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BU of 5t2h by Molmil
Engineered variant of I-OnuI meganuclease targeting the Human TCRa gene; harbors 43 point mutations relative to wild-type I-OnuI
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-hTCRa
Authors:Stoddard, B.L, Werther, R.
Deposit date:2016-08-23
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.517 Å)
Cite:Crystallographic analyses illustrate significant plasticity and efficient recoding of meganuclease target specificity.
Nucleic Acids Res., 45, 2017
5T2N
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BU of 5t2n by Molmil
Engineered variant of I-OnuI meganuclease targeting the Anopheles AGAP007280 gene; harbors 38 point mutations relative to wild-type I-OnuI
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-ag007820
Authors:Stoddard, B.L, Werther, R.
Deposit date:2016-08-23
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.079 Å)
Cite:Crystallographic analyses illustrate significant plasticity and efficient recoding of meganuclease target specificity.
Nucleic Acids Res., 45, 2017
5T2O
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BU of 5t2o by Molmil
Engineered variant of I-OnuI meganuclease targeting the Anopheles AGAP011377 gene; harbors 53 point mutations relative to wild-type I-OnuI
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-ag011377
Authors:Stoddard, B.L, Werther, R.
Deposit date:2016-08-23
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Crystallographic analyses illustrate significant plasticity and efficient recoding of meganuclease target specificity.
Nucleic Acids Res., 45, 2017
5T8D
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BU of 5t8d by Molmil
Engineered variant of I-OnuI meganuclease targeting the HIV integrase gene; harbors 47 point mutations relative to wild-type I-OnuI
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-vHIVInt_v2
Authors:Stoddard, B.L, Werther, R, Lambert, A.R.
Deposit date:2016-09-07
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Tuning DNA binding affinity and cleavage specificity of an engineered gene-targeting nuclease via surface display, flow cytometry and cellular analyses.
Protein Eng.Des.Sel., 30, 2017
3B5L
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BU of 3b5l by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-61
Descriptor: AMMONIUM ION, Endoxylanase, SULFATE ION
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2007-10-26
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo computational design of retro-aldol enzymes.
Science, 319, 2008
1P8K
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BU of 1p8k by Molmil
The structure and DNA recognition of a bifunctional homing endonuclease and group I intron splicing factor
Descriptor: 5'-D(P*CP*CP*TP*CP*CP*TP*CP*AP*GP*CP*GP*CP*GP*CP*T)-3', 5'-D(P*GP*CP*GP*CP*GP*CP*TP*GP*AP*GP*GP*AP*GP*GP*TP*TP*TP*C)-3', 5'-D(P*GP*CP*GP*CP*TP*TP*TP*AP*CP*AP*GP*AP*GP*AP*AP*A)-3', ...
Authors:Stoddard, B.L, Bolduc, J.M.
Deposit date:2003-05-07
Release date:2004-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analyses of DNA and RNA binding by a bifunctional homing endonuclease and group I intron splicing factor.
Genes Dev., 17, 2003
4J8T
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BU of 4j8t by Molmil
Engineered Digoxigenin binder DIG10.2
Descriptor: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2013-02-14
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
4J9A
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BU of 4j9a by Molmil
Engineered Digoxigenin binder DIG10.3
Descriptor: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2013-02-15
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
3HOJ
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BU of 3hoj by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-22
Descriptor: RETROALDOLASE-22
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2009-06-02
Release date:2009-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De Novo Computational Design of Retro-Aldol Enzymes
Science, 319, 2008
1BP7
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BU of 1bp7 by Molmil
GROUP I MOBILE INTRON ENDONUCLEASE I-CREI COMPLEXED WITH HOMING SITE DNA
Descriptor: CALCIUM ION, DNA (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'), DNA (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'), ...
Authors:Jurica, M.S, Monnat Junior, R.J, Stoddard, B.L.
Deposit date:1998-08-13
Release date:1999-01-06
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:DNA recognition and cleavage by the LAGLIDADG homing endonuclease I-CreI.
Mol.Cell, 2, 1998
6XR2
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BU of 6xr2 by Molmil
Computationally designed right-handed alpha/alpha homotrimeric toroid with 3 repeats per subunit
Descriptor: dTor_3x57R
Authors:Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
Deposit date:2020-07-10
Release date:2021-07-14
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
6XR1
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BU of 6xr1 by Molmil
Computationally designed right-handed alpha/alpha single-chain toroid with 9 repeats
Descriptor: dTor_9x57R
Authors:Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
Deposit date:2020-07-10
Release date:2021-07-14
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
5JSN
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BU of 5jsn by Molmil
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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