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5JSB
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BU of 5jsb by Molmil
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
4QPZ
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BU of 4qpz by Molmil
Crystal structure of the formolase FLS_v2 in space group P 21
Descriptor: Formolase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Shen, B.W, Siegel, J.B, Stoddard, B.L, Baker, D.
Deposit date:2014-06-25
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
4R6J
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BU of 4r6j by Molmil
Crystal structure of computaional designed Lucine rich repeats DLRR_H in space group P212121
Descriptor: Lucine rich repeats DLRR_H, SULFATE ION
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2014-08-25
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
4R6G
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BU of 4r6g by Molmil
Crystal structure of computational designed leucine rich repeats DLRR_K in space group P22121
Descriptor: CALCIUM ION, leucine rich repeats DLRR_K
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2014-08-25
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
4R5D
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BU of 4r5d by Molmil
Crystal structure of computational designed leucine rich repeats DLRR_G3 in space group F222
Descriptor: 1,2-ETHANEDIOL, Leucine rich repeat protein, SULFATE ION
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2014-08-21
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
4R58
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BU of 4r58 by Molmil
Crystal structure of computational designed leucine rich repeats DLRR_A in space group P21
Descriptor: Leucine Rich Repeat protein
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2014-08-20
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
4R5C
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BU of 4r5c by Molmil
Crystal structure of computational designed leucine rich repeats DLRR_E in space group of P212121
Descriptor: 1,2-ETHANEDIOL, Leucine rich repeat protein
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2014-08-21
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
4QQ8
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BU of 4qq8 by Molmil
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
4R6F
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BU of 4r6f by Molmil
Crystal structure of computational designed protein DLRR_I
Descriptor: Leucine rich repeat DLRR_I
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2014-08-25
Release date:2015-01-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
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
1GBN
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BU of 1gbn by Molmil
HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH THE NEUROTOXIN GABACULINE
Descriptor: 3-AMINOBENZOIC ACID, GABACULINE, ORNITHINE AMINOTRANSFERASE, ...
Authors:Shah, S.A, Shen, B.W, Brunger, A.T.
Deposit date:1997-05-29
Release date:1998-06-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human ornithine aminotransferase complexed with L-canaline and gabaculine: structural basis for substrate recognition.
Structure, 5, 1997
3HYI
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BU of 3hyi by Molmil
Crystal structure of full-length DUF199/WhiA from Thermatoga maritima
Descriptor: GLYCEROL, Protein DUF199/WhiA, SODIUM ION
Authors:Kaiser, B.K, Clifton, M.C, Shen, B.W, Stoddard, B.L.
Deposit date:2009-06-22
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The structure of a bacterial DUF199/WhiA protein: domestication of an invasive endonuclease
Structure, 17, 2009
3HYJ
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BU of 3hyj by Molmil
Crystal structure of the N-terminal LAGLIDADG domain of DUF199/WhiA
Descriptor: CHLORIDE ION, GLYCEROL, Protein DUF199/WhiA, ...
Authors:Kaiser, B.K, Clifton, M.C, Shen, B.W, Stoddard, B.L.
Deposit date:2009-06-22
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of a bacterial DUF199/WhiA protein: domestication of an invasive endonuclease.
Structure, 17, 2009
2CAN
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BU of 2can by Molmil
HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH L-CANALINE
Descriptor: CANALINE, ORNITHINE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Shah, S.A, Shen, B.W, Brunger, A.T.
Deposit date:1997-05-29
Release date:1998-06-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human ornithine aminotransferase complexed with L-canaline and gabaculine: structural basis for substrate recognition.
Structure, 5, 1997
3U0S
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BU of 3u0s by Molmil
Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Diisopropyl-fluorophosphatase, GLYCEROL, ...
Authors:Bale, J.B, Shen, B.W, Stoddard, B.L.
Deposit date:2011-09-29
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.
Nat.Biotechnol., 30, 2012
1D7P
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BU of 1d7p by Molmil
Crystal structure of the c2 domain of human factor viii at 1.5 a resolution at 1.5 A
Descriptor: COAGULATION FACTOR VIII PRECURSOR, CYSTEINE, GLYCEROL, ...
Authors:Pratt, K.P, Shen, B.W, Stoddard, B.L.
Deposit date:1999-10-19
Release date:1999-12-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the C2 domain of human factor VIII at 1.5 A resolution.
Nature, 402, 1999
5E63
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BU of 5e63 by Molmil
K262A mutant of I-SmaMI
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA (5'-D(P*CP*AP*GP*GP*TP*GP*TP*AP*CP*G)-3'), ...
Authors:Shen, B, Stoddard, B.
Deposit date:2015-10-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 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
8EIL
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BU of 8eil by Molmil
C-Terminal Domain of BrxL from Acinetobacter BREX type I phage restriction system
Descriptor: MALONIC ACID, Protease Lon-related BREX system protein BrxL, SUCCINIC ACID
Authors:Doyle, L.A, Stoddard, B.L, Kaiser, B.
Deposit date:2022-09-15
Release date:2023-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure, substrate binding and activity of a unique AAA+ protein: the BrxL phage restriction factor.
Nucleic Acids Res., 51, 2023
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:2024-05-22
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:2024-05-22
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
4OYD
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BU of 4oyd by Molmil
Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor
Authors:Shen, B, Procko, E, Baker, D, Stoddard, B.
Deposit date:2014-02-11
Release date:2014-07-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
3UVF
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BU of 3uvf by Molmil
Expanding LAGALIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Intron-encoded DNA endonuclease I-HjeMI, ...
Authors:Jacoby, K, Metzger, M, Shen, B, Jarjour, J, Stoddard, B, Scharenberg, A.
Deposit date:2011-11-29
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Expanding LAGLIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space.
Nucleic Acids Res., 40, 2012
4YIS
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BU of 4yis by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-CpaMI Bound to Uncleaved DNA
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (28-MER), ...
Authors:Hallinan, J.P, Kaiser, B.K, Stoddard, B.L.
Deposit date:2015-03-02
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
4YIT
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BU of 4yit by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-AabMI Bound to Uncleaved DNA
Descriptor: CALCIUM ION, DNA (25-MER), DNA (25MER), ...
Authors:Hallinan, J.P, Stoddard, B.L.
Deposit date:2015-03-02
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
4YHX
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BU of 4yhx by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-GpeMI Bound to Uncleaved DNA
Descriptor: CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein
Authors:Hallinan, J.P, Kaiser, B.K, Stoddard, B.L.
Deposit date:2015-02-27
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016

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