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5HS0
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BU of 5hs0 by Molmil
Computationally Designed Cyclic Tetramer ank1C4_7
Descriptor: Ankyrin domain protein ank1C4_7, GLYCEROL, SULFATE ION
Authors:McNamara, D.E, Cascio, D, Fallas, J.A, Baker, D, Yeates, T.O.
Deposit date:2016-01-24
Release date:2017-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
5HHD
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BU of 5hhd by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {RFX037 plus VEGF-A} Protein Complex in space group P21
Descriptor: D-Peptide RFX037.D, D-Vascular endothelial growth factor, DI(HYDROXYETHYL)ETHER, ...
Authors:Uppalapati, M, LEE, D.J, Mandal, K, Kent, S.B.H, Sidhu, S.
Deposit date:2016-01-10
Release date:2016-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Potent d-Protein Antagonist of VEGF-A is Nonimmunogenic, Metabolically Stable, and Longer-Circulating in Vivo.
Acs Chem.Biol., 11, 2016
5HOY
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BU of 5hoy by Molmil
X-ray crystallographic structure of an A-beta 17_36 beta-hairpin. X-ray diffractometer data set. (LVFFAEDCGSNKCAII(SAR)LMV).
Descriptor: Amyloid beta A4 protein, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
Authors:Kreutzer, A.G, Spencer, R.K, Nowick, J.S.
Deposit date:2016-01-19
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:X-ray Crystallographic Structures of a Trimer, Dodecamer, and Annular Pore Formed by an A beta 17-36 beta-Hairpin.
J.Am.Chem.Soc., 138, 2016
5HRZ
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BU of 5hrz by Molmil
Computationally Designed Trimer 1na0C3_3
Descriptor: TPR domain protein 1na0C3_3
Authors:Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O.
Deposit date:2016-01-24
Release date:2017-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
4GN3
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BU of 4gn3 by Molmil
OBody AM1L10 bound to hen egg-white lysozyme
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lysozyme C, ...
Authors:Steemson, J.D, Liddament, M.T.
Deposit date:2012-08-16
Release date:2013-08-21
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Tracking Molecular Recognition at the Atomic Level with a New Protein Scaffold Based on the OB-Fold.
Plos One, 9, 2014
5I1P
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BU of 5i1p by Molmil
Villin headpiece subdomain with a Lys30 to beta-3-homolysine substitution
Descriptor: D-Villin headpiece subdomain, ETHANOL, Villin-1
Authors:Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5I3P
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BU of 5i3p by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27
Descriptor: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-02-10
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5I1O
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BU of 5i1o by Molmil
Villin headpiece subdomain with a Gln26 to ACPC substitution
Descriptor: D-Villin headpiece subdomain, Villin-1
Authors:Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.348 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5I1Y
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BU of 5i1y by Molmil
NvPizza2-H16S58 with cobalt
Descriptor: COBALT (II) ION, SULFATE ION, nvPizz2a-H16S58
Authors:Tame, J.R.H, Voet, A.R.D.
Deposit date:2016-02-07
Release date:2017-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:NvPizza2-H16S58 with cobalt
To Be Published
5I1N
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BU of 5i1n by Molmil
Villin headpiece subdomain with a Gln26 to beta-3-homoglutamine substitution
Descriptor: D-Villin headpiece subdomain, Villin-1
Authors:Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5I1Z
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BU of 5i1z by Molmil
Structure of nvPizza2-H16S58
Descriptor: SULFATE ION, nvPizza2-H16S58
Authors:Tame, J.R.H, Voet, A.R.D.
Deposit date:2016-02-07
Release date:2017-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Broken Symmetry: Partial domain swapping in an artificial trimeric protein
To Be Published
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
5I1S
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BU of 5i1s by Molmil
Villin headpiece subdomain with a Lys30 to APC substitution
Descriptor: D-Villin headpiece subdomain, Villin-1
Authors:Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5HHC
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BU of 5hhc by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {RFX037 plus VEGF-A} Protein Complex in space group P21/n
Descriptor: D- Vascular endothelial growth factor-A, GLYCEROL, Vascular endothelial growth factor A
Authors:Uppalapati, M, Lee, D.J, Mandal, K, Kent, S.B.H, Sidhu, S.
Deposit date:2016-01-10
Release date:2016-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Potent d-Protein Antagonist of VEGF-A is Nonimmunogenic, Metabolically Stable, and Longer-Circulating in Vivo.
Acs Chem.Biol., 11, 2016
4GCZ
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BU of 4gcz by Molmil
Structure of a blue-light photoreceptor
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Blue-light photoreceptor, Sensor protein fixL, ...
Authors:Diensthuber, R.P, Bommer, M, Moglich, A.
Deposit date:2012-07-31
Release date:2013-06-19
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Full-length structure of a sensor histidine kinase pinpoints coaxial coiled coils as signal transducers and modulators.
Structure, 21, 2013
5HFY
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BU of 5hfy by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-2-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35
Descriptor: Immunoglobulin G-binding protein G
Authors:Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
Deposit date:2016-01-07
Release date:2016-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
5HG2
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BU of 5hg2 by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-2-Asn35
Descriptor: GLYCEROL, Immunoglobulin G-binding protein G, MAGNESIUM ION
Authors:Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
Deposit date:2016-01-07
Release date:2016-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
5JJR
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BU of 5jjr by Molmil
Dengue 3 NS5 protein with compound 29
Descriptor: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Lescar, J, El Sahili, A.
Deposit date:2016-04-25
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5JJS
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BU of 5jjs by Molmil
Dengue 3 NS5 protein with compound 27
Descriptor: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-{[(1R,3R)-3-methoxycyclohexyl]sulfonyl}benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Lescar, J, El Sahili, A.
Deposit date:2016-04-25
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5I3Q
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BU of 5i3q by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 29
Descriptor: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-02-10
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
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
6MCT
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BU of 6mct by Molmil
A designed pentameric membrane protein stabilized by van der Waals interaction
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SULFATE ION, mini-eVgL membrane protein
Authors:Mravic, M, Liu, L, Degrado, W.F.
Deposit date:2018-09-02
Release date:2019-04-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6JON
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BU of 6jon by Molmil
Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Primase
Authors:Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H.
Deposit date:2019-03-22
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity.
Biochem.Biophys.Res.Commun., 515, 2019
5HOX
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BU of 5hox by Molmil
X-ray crystallographic structure of an A-beta 17_36 beta-hairpin. Synchrotron data set. (LVFFAEDCGSNKCAII(SAR)LMV).
Descriptor: Amyloid beta A4 protein, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
Authors:Kreutzer, A.G, Nowick, J.S, Spencer, R.K.
Deposit date:2016-01-19
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystallographic Structures of a Trimer, Dodecamer, and Annular Pore Formed by an A beta 17-36 beta-Hairpin.
J.Am.Chem.Soc., 138, 2016
5HPN
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BU of 5hpn by Molmil
A circularly permuted PduA forming an icosahedral cage
Descriptor: Permuted PduA, SULFATE ION
Authors:Leibly, D.J, Jorda, J, Yeates, T.O.
Deposit date:2016-01-20
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.509 Å)
Cite:Structure of a novel 13 nm dodecahedral nanocage assembled from a redesigned bacterial microcompartment shell protein.
Chem.Commun.(Camb.), 52, 2016

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