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1QYS
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BU of 1qys by Molmil
Crystal structure of Top7: A computationally designed protein with a novel fold
Descriptor: TOP7
Authors:Kuhlman, B, Dantas, G, Ireton, G.C, Varani, G, Stoddard, B.L, Baker, D.
Deposit date:2003-09-11
Release date:2003-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of a Novel Globular Protein Fold with Atomic-Level Accuracy
Science, 302, 2003
1JML
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BU of 1jml by Molmil
Conversion of Monomeric Protein L to an Obligate Dimer by Computational Protein Design
Descriptor: Protein L, ZINC ION
Authors:O'Neill, J.W, Kuhlman, B, Kim, D.E, Zhang, K.Y.J, Baker, D.
Deposit date:2001-07-19
Release date:2001-10-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conversion of monomeric protein L to an obligate dimer by computational protein design.
Proc.Natl.Acad.Sci.USA, 98, 2001
1KH0
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BU of 1kh0 by Molmil
Accurate Computer Base Design of a New Backbone Conformation in the Second Turn of Protein L
Descriptor: protein L
Authors:O'Neill, J.W, Kuhlman, B, Kim, D.E, Zhang, K.Y, Baker, D.
Deposit date:2001-11-28
Release date:2002-01-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Accurate computer-based design of a new backbone conformation in the second turn of protein L.
J.Mol.Biol., 315, 2002
4WF0
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BU of 4wf0 by Molmil
Crystal Structure of iLID - an Improved Light-Inducible Dimer
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NPH1-1
Authors:Hallett, R, Williams, T, Kuhlman, B.
Deposit date:2014-09-11
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Engineering an improved light-induced dimer (iLID) for controlling the localization and activity of signaling proteins.
Proc.Natl.Acad.Sci.USA, 112, 2015
2XNS
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BU of 2xns by Molmil
Crystal Structure Of Human G alpha i1 Bound To A Designed Helical Peptide Derived From The Goloco Motif Of RGS14
Descriptor: GUANINE NUCLEOTIDE-BINDING PROTEIN G(I) SUBUNIT ALPHA-1, GUANOSINE-5'-DIPHOSPHATE, REGULATOR OF G-PROTEIN SIGNALING 14, ...
Authors:Bosch, D, Sammond, D.W, Butterfoss, G.L, Machius, M, Siderovski, D.P, Kuhlman, B.
Deposit date:2010-08-05
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Computational Design of the Sequence and Structure of a Protein-Binding Peptide.
J.Am.Chem.Soc., 133, 2011
8VY4
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BU of 8vy4 by Molmil
Engineering a Tumor-Selective Prodrug T Cell Engager Bispecific Antibody for Safer Immunotherapy
Descriptor: Fab Heavy Chain, Fab Light Chain, PCA-ASP-GLY-ASN-GLU-GLU-MET
Authors:Antonysamy, S, Demarest, S, Froning, K, Hickey, M.H, Kuhlman, B, McCue, A.C.
Deposit date:2024-02-06
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering a tumor-selective prodrug T-cell engager bispecific antibody for safer immunotherapy.
Mabs, 16, 2024
6WY1
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BU of 6wy1 by Molmil
Crystal structure of an engineered thermostable dengue virus 2 envelope protein dimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dengue 2 soluble recombinant envelope
Authors:Kudlacek, S.T, Lakshmanane, P, Kuhlman, B.
Deposit date:2020-05-12
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Designed, highly expressing, thermostable dengue virus 2 envelope protein dimers elicit quaternary epitope antibodies.
Sci Adv, 7, 2021
6U07
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BU of 6u07 by Molmil
Computational Stabilization of T Cell Receptor Constant Domains
Descriptor: MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta)
Authors:Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J.
Deposit date:2019-08-13
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
3ONW
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BU of 3onw by Molmil
Structure of a G-alpha-i1 mutant with enhanced affinity for the RGS14 GoLoco motif.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, Regulator of G-protein signaling 14, ...
Authors:Bosch, D, Kimple, A.J, Sammond, D.W, Miley, M.J, Machius, M, Kuhlman, B, Willard, F.S, Siderovski, D.P.
Deposit date:2010-08-30
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural Determinants of Affinity Enhancement between GoLoco Motifs and G-Protein {alpha} Subunit Mutants.
J.Biol.Chem., 286, 2011
4LLD
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BU of 4lld by Molmil
Structure of wild-type IgG1 antibody heavy chain constant domain 1 and light chain lambda constant domain (IgG1 CH1:Clambda) at 1.19A
Descriptor: Ig gamma-1 chain C region, Ig lambda-2 chain C region
Authors:Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S.
Deposit date:2013-07-09
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
4LLQ
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BU of 4llq by Molmil
Structure of redesigned IgG1 first constant and lambda domains (CH1:Clambda constant redesign 2 beta, CRD2b) at 1.42A
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, mutated CH1, mutated light chain Clambda
Authors:Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S.
Deposit date:2013-07-09
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
4LLY
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BU of 4lly by Molmil
Crystal structure of Pertuzumab Clambda Fab with variable and constant domain redesigns (VRD2 and CRD2) at 1.6A
Descriptor: GLYCEROL, MAGNESIUM ION, light chain Clambda, ...
Authors:Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S.
Deposit date:2013-07-09
Release date:2014-01-29
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
4LLU
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BU of 4llu by Molmil
Structure of Pertuzumab Fab with light chain Clambda at 2.16A
Descriptor: ACETATE ION, Light chain CLAMBDA, PERTUZUMAB FAB Heavy chain, ...
Authors:Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S.
Deposit date:2013-07-09
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
4LLM
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BU of 4llm by Molmil
Structure of redesigned IgG1 first constant and lambda domains (CH1:Clambda constant redesign 1, CRD1) at 1.75A
Descriptor: Ig gamma-1 chain C region, Ig lambda-2 chain C region
Authors:Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S.
Deposit date:2013-07-09
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
3ZY7
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BU of 3zy7 by Molmil
Crystal structure of computationally redesigned gamma-adaptin appendage domain forming a symmetric homodimer
Descriptor: AP-1 COMPLEX SUBUNIT GAMMA-1, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL
Authors:Stranges, P.B, Machius, M, Miley, M.J, Tripathy, A, Kuhlman, B.
Deposit date:2011-08-17
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Computational Design of a Symmetric Homodimer Using Beta-Strand Assembly.
Proc.Natl.Acad.Sci.USA, 108, 2011
1CQU
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BU of 1cqu by Molmil
SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF RIBOSOMAL PROTEIN L9
Descriptor: 50S RIBOSOMAL PROTEIN L9
Authors:Hua, Y, Kuhlman, B, Hoffman, D, Raleigh, D.P.
Deposit date:1999-08-11
Release date:2002-04-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Effects of varying the local propensity to form secondary structure on the stability and folding kinetics of a rapid folding mixed alpha/beta protein: characterization of a truncation mutant of the N-terminal domain of the ribosomal protein L9.
J.Mol.Biol., 289, 1999
3B83
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BU of 3b83 by Molmil
Computer-Based Redesign of a beta Sandwich Protein Suggests that Extensive Negative Design Is Not Required for De Novo beta Sheet Design.
Descriptor: TEN-D3
Authors:Hu, X, Ke, H, Kuhlman, B.
Deposit date:2007-10-31
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computer-Based Redesign of a beta Sandwich Protein Suggests that Extensive Negative Design Is Not Required for De Novo beta Sheet Design.
Structure, 16, 2008
5KAY
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BU of 5kay by Molmil
Structure of Spelter bound to Zn2+
Descriptor: SODIUM ION, Spelter, ZINC ION
Authors:Guffy, S.L, Der, B.S, Kuhlman, B.
Deposit date:2016-06-02
Release date:2016-08-03
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing the minimal determinants of zinc binding with computational protein design.
Protein Eng.Des.Sel., 29, 2016
7TJL
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BU of 7tjl by Molmil
Crystal structure of de novo designed protein, SEWN0.1
Descriptor: De novo designed protein, SEWN0.1
Authors:Cummins, M.C, Jacobs, T.M, Kuhlman, B.
Deposit date:2022-01-16
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:AlphaFold accurately predicts distinct conformations based on the oligomeric state of a de novo designed protein
Protein Sci., 31, 2022
7T2Y
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BU of 7t2y by Molmil
X-ray structure of a designed cold unfolding four helix bundle
Descriptor: Designed cold unfolding four helix bundle
Authors:Harrison, J.S, Kuhlman, B, Szyperski, T, Premkumar, L, Maguire, J, Pulavarti, S, Yuen, S.
Deposit date:2021-12-06
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:From Protein Design to the Energy Landscape of a Cold Unfolding Protein.
J.Phys.Chem.B, 126, 2022
4LLW
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BU of 4llw by Molmil
Crystal structure of Pertuzumab Clambda Fab with variable domain redesign (VRD2) at 1.95A
Descriptor: SULFATE ION, light chain Clambda, mutated Pertuzumab Fab heavy chain
Authors:Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S.
Deposit date:2013-07-09
Release date:2014-01-29
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
1MHX
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BU of 1mhx by Molmil
Crystal Structures of the redesigned protein G variant NuG1
Descriptor: immunoglobulin-binding protein G
Authors:Nauli, S, Kuhlman, B, Le Trong, I, Stenkamp, R.E, Teller, D.C, Baker, D.
Deposit date:2002-08-21
Release date:2002-09-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures and increased stabilization of the protein G variants with switched folding pathways NuG1 and NuG2
Protein Sci., 11, 2002
1MI0
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BU of 1mi0 by Molmil
Crystal Structure of the redesigned protein G variant NuG2
Descriptor: immunoglobulin-binding protein G
Authors:Nauli, S, Kuhlman, B, Le Trong, I, Stenkamp, R.E, Teller, D.C, Baker, D.
Deposit date:2002-08-21
Release date:2002-09-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures and increased stabilization of the protein G variants with switched folding pathways NuG1 and NuG2
Biochemistry, 11, 2002
2LSE
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BU of 2lse by Molmil
Solution NMR Structure of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (NESG) Target OR188
Descriptor: Four Helix Bundle Protein
Authors:Sathyamoorthy, B, Pulavarti, S, Murphy, G, Mills, J.L, Eletski, A, Der, B.S, Machius, M.C, Kuhlman, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-04-28
Release date:2012-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of a Denovo Design Four Helix Bundle Protein, Northeast Structural Genomics Consortium Target OR188
To be Published
7T03
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BU of 7t03 by Molmil
NMR structure of a designed cold unfolding four helix bundle
Descriptor: Cold unfolding four helix bundle
Authors:Pulavarti, S, Szyperski, T, Yuen, S, Maguire, J, Griffin, J, Kuhlman, B.
Deposit date:2021-11-29
Release date:2022-03-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:From Protein Design to the Energy Landscape of a Cold Unfolding Protein.
J.Phys.Chem.B, 126, 2022

 

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