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5HS0
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BU of 5hs0 by Molmil
Computationally Designed Cyclic Tetramer ank1C4_7
分子名称: Ankyrin domain protein ank1C4_7, GLYCEROL, SULFATE ION
著者McNamara, D.E, Cascio, D, Fallas, J.A, Baker, D, Yeates, T.O.
登録日2016-01-24
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: D-Peptide RFX037.D, D-Vascular endothelial growth factor, DI(HYDROXYETHYL)ETHER, ...
著者Uppalapati, M, LEE, D.J, Mandal, K, Kent, S.B.H, Sidhu, S.
登録日2016-01-10
公開日2016-03-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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).
分子名称: Amyloid beta A4 protein, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
著者Kreutzer, A.G, Spencer, R.K, Nowick, J.S.
登録日2016-01-19
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献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
分子名称: TPR domain protein 1na0C3_3
著者Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O.
登録日2016-01-24
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lysozyme C, ...
著者Steemson, J.D, Liddament, M.T.
登録日2012-08-16
公開日2013-08-21
最終更新日2014-02-12
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: D-Villin headpiece subdomain, ETHANOL, Villin-1
著者Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
登録日2016-02-05
公開日2016-05-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
著者Noble, C.G.
登録日2016-02-10
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献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
分子名称: D-Villin headpiece subdomain, Villin-1
著者Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
登録日2016-02-05
公開日2016-05-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.348 Å)
主引用文献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
分子名称: COBALT (II) ION, SULFATE ION, nvPizz2a-H16S58
著者Tame, J.R.H, Voet, A.R.D.
登録日2016-02-07
公開日2017-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: D-Villin headpiece subdomain, Villin-1
著者Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
登録日2016-02-05
公開日2016-05-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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
分子名称: SULFATE ION, nvPizza2-H16S58
著者Tame, J.R.H, Voet, A.R.D.
登録日2016-02-07
公開日2017-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献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
分子名称: D-Villin headpiece subdomain, Villin-1
著者Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
登録日2016-02-05
公開日2016-05-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献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
分子名称: D- Vascular endothelial growth factor-A, GLYCEROL, Vascular endothelial growth factor A
著者Uppalapati, M, Lee, D.J, Mandal, K, Kent, S.B.H, Sidhu, S.
登録日2016-01-10
公開日2016-03-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: ADENOSINE-5'-DIPHOSPHATE, Blue-light photoreceptor, Sensor protein fixL, ...
著者Diensthuber, R.P, Bommer, M, Moglich, A.
登録日2012-07-31
公開日2013-06-19
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: Immunoglobulin G-binding protein G
著者Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
登録日2016-01-07
公開日2016-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: GLYCEROL, Immunoglobulin G-binding protein G, MAGNESIUM ION
著者Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
登録日2016-01-07
公開日2016-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 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, ...
著者Lescar, J, El Sahili, A.
登録日2016-04-25
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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
分子名称: 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, ...
著者Lescar, J, El Sahili, A.
登録日2016-04-25
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
分子名称: 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
著者Noble, C.G.
登録日2016-02-10
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献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
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SULFATE ION, mini-eVgL membrane protein
著者Mravic, M, Liu, L, Degrado, W.F.
登録日2018-09-02
公開日2019-04-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Primase
著者Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H.
登録日2019-03-22
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献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).
分子名称: Amyloid beta A4 protein, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
著者Kreutzer, A.G, Nowick, J.S, Spencer, R.K.
登録日2016-01-19
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: Permuted PduA, SULFATE ION
著者Leibly, D.J, Jorda, J, Yeates, T.O.
登録日2016-01-20
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.509 Å)
主引用文献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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