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4KY1
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BU of 4ky1 by Molmil
humanized HP1/2 Fab
Descriptor: IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, LIGHT CHAIN
Authors:Arndt, J.W, Hanf, K.J.M, Lugovskoy, A, Chen, L.L, Jarpe, M, Boriack-Sjodin, A, Li, Y, van Vlijmen, H, Pepinsky, B, Taylor, F, Silvian, L, Taveras, A.
Deposit date:2013-05-28
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Antibody humanization by redesign of complementarity-determining region residues proximate to the acceptor framework.
METHODS (SAN DIEGO), 65, 2014
2Q33
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BU of 2q33 by Molmil
Crystal structure of all-D monellin at 1.8 A resolution
Descriptor: D-MONELLIN CHAIN A, D-MONELLIN CHAIN B
Authors:Hung, L.-W, Kohmura, M, Ariyoshi, Y, Kim, S.-H.
Deposit date:2007-05-29
Release date:2007-11-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of an Enantiomeric Protein, D-Monellin at 1.8 A Resolution.
Acta Crystallogr.,Sect.D, 54, 1998
4ZCN
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BU of 4zcn by Molmil
Crystal structure of nvPizza2-S16S58
Descriptor: IODIDE ION, SULFATE ION, nvPizza2-S16S58
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2015-04-16
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of nvPizza2-S16S58
To Be Published
4KWV
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BU of 4kwv by Molmil
Crystal Structure of human apo-QPRT
Descriptor: Nicotinate-nucleotide pyrophosphorylase [carboxylating]
Authors:Malik, S.S, Patterson, D.N, Ncube, Z, Toth, E.A.
Deposit date:2013-05-24
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:The crystal structure of human quinolinic acid phosphoribosyltransferase in complex with its inhibitor phthalic acid.
Proteins, 82, 2014
3C3H
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BU of 3c3h by Molmil
alpha/beta-Peptide helix bundles: A GCN4-pLI analogue with an (alpha-alpha-beta) backbone and cyclic beta residues
Descriptor: alpha/beta-peptide based on the GCN4-pLI side chain sequence, with an (alpha-alpha-beta) backbone and cyclic beta-residues at positions 1, 4, ...
Authors:Horne, W.S, Price, J.L, Gellman, S.H.
Deposit date:2008-01-28
Release date:2008-06-17
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4LBT
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BU of 4lbt by Molmil
Endothiapepsin in complex with 100mM acylhydrazone inhibitor
Descriptor: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Winquist, J, Klebe, G.
Deposit date:2013-06-21
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
4LHH
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BU of 4lhh by Molmil
Endothiapepsin in complex with 2mM acylhydrazone inhibitor
Descriptor: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2013-07-01
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
4KWW
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BU of 4kww by Molmil
The crystal structure of human quinolinic acid phosphoribosyltransferase in complex with its inhibitor phthalic acid
Descriptor: Nicotinate-nucleotide pyrophosphorylase [carboxylating], PHTHALIC ACID
Authors:Malik, S.S, Dimeka, P.N, Ncube, Z, Toth, E.A.
Deposit date:2013-05-24
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of human quinolinic acid phosphoribosyltransferase in complex with its inhibitor phthalic acid.
Proteins, 82, 2014
3CWO
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BU of 3cwo by Molmil
A beta/alpha-barrel built by the combination of fragments from different folds
Descriptor: SULFATE ION, beta/alpha-barrel protein based on 1THF and 1TMY
Authors:Bharat, T.A.M, Eisenbeis, S, Zeth, K, Hocker, B.
Deposit date:2008-04-22
Release date:2008-07-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A beta alpha-barrel built by the combination of fragments from different folds.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4ATZ
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BU of 4atz by Molmil
Ad5 knob in complex with a designed ankyrin repeat protein
Descriptor: DESIGNED ANKYRIN REPEAT PROTEIN, Fiber protein
Authors:Mittl, P.R.E, Hess, C, Dreier, B.
Deposit date:2012-05-11
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of a generic adenovirus delivery system based on structure-guided design of bispecific trimeric DARPin adapters.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
3BX7
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BU of 3bx7 by Molmil
Engineered Human Lipocalin 2 (LCN2) in Complex with the Extracellular Domain of Human CTLA-4
Descriptor: CYTOTOXIC T-LYMPHOCYTE-ASSOCIATED ANTIGEN 4, ENGINEERED HUMAN LIPOCALIN 2
Authors:Schonfeld, D.L, Chatwell, L, Skerra, A.
Deposit date:2008-01-11
Release date:2009-01-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin
To be Published
7JXN
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BU of 7jxn by Molmil
Beta hairpin derived from Abeta17-36 with an F20Cha mutation
Descriptor: Amyloid-beta 17-36 peptide, CHLORIDE ION, SODIUM ION
Authors:Kreutzer, A.G, Haerianardakani, S, Nowick, J.S.
Deposit date:2020-08-27
Release date:2020-12-09
Last modified:2020-12-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phenylalanine Mutation to Cyclohexylalanine Facilitates Triangular Trimer Formation by beta-Hairpins Derived from A beta.
J.Am.Chem.Soc., 142, 2020
4LNY
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BU of 4lny by Molmil
Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR422
Descriptor: CADMIUM ION, CHLORIDE ION, Engineered Protein OR422
Authors:Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Sahdev, S, Xiao, R, Maglaqui, M, Kogan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-07-12
Release date:2013-08-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.929 Å)
Cite:Crystal Structure of Engineered Protein OR422.
To be Published
3B3N
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BU of 3b3n by Molmil
Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2007-10-22
Release date:2008-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130, 2008
5BVB
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BU of 5bvb by Molmil
Engineered Digoxigenin binder DIG5.1a
Descriptor: DIG5.1a, DIGOXIGENIN
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2015-06-04
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
4LPW
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BU of 4lpw by Molmil
Crystal structure of TENCON variant A6
Descriptor: TENCON variant A6
Authors:Teplyakov, A, Obmolova, G, Gilliland, G.L.
Deposit date:2013-07-16
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
4JMH
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BU of 4jmh by Molmil
Crystal structure of synthetic protein in complex with double pY peptide
Descriptor: Clamp Shc1_pY239/240, SHC-transforming protein 1
Authors:Yasui, N, Smith, L, Koide, S.
Deposit date:2013-03-14
Release date:2014-04-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.408 Å)
Cite:Directed network wiring identifies a key protein interaction in embryonic stem cell differentiation.
Mol.Cell, 54, 2014
7JXO
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BU of 7jxo by Molmil
Triangular trimer of beta-hairpins derived from Abeta17-36 with an F20Cha mutation
Descriptor: Amyloid-beta 17-36 peptide
Authors:Kreutzer, A.G, Haerianardakani, S, Nowick, J.S.
Deposit date:2020-08-27
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Phenylalanine Mutation to Cyclohexylalanine Facilitates Triangular Trimer Formation by beta-Hairpins Derived from A beta.
J.Am.Chem.Soc., 142, 2020
3CSB
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BU of 3csb by Molmil
Crystal Structure of Monobody YSX1/Maltose Binding Protein Fusion Complex
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:Gilbreth, R.N, Koide, S.
Deposit date:2008-04-09
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:A Dominant Conformational Role for Amino Acid Diversity in Minimalist Protein-Protein Interfaces
J.Mol.Biol., 381, 2008
4ZXZ
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BU of 4zxz by Molmil
Crystal structure of a highly thermal stable but inactive levoglucosan kinase.
Descriptor: Levoglucosan kinase
Authors:Bacik, J.P, Klesmith, J.R, Whitehead, T.A.
Deposit date:2015-05-20
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Comprehensive Sequence-Flux Mapping of a Levoglucosan Utilization Pathway in E. coli.
Acs Synth Biol, 4, 2015
2RT4
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BU of 2rt4 by Molmil
NMR Structure of designed protein, AF.2A1, (Ensembles)
Descriptor: AF.2A1
Authors:Watanabe, H, Yamasaki, K, Honda, S.
Deposit date:2013-04-18
Release date:2014-01-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tracing primordial protein evolution through structurally guided stepwise segment elongation.
J.Biol.Chem., 289, 2014
4JW2
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BU of 4jw2 by Molmil
Selection of specific protein binders for pre-defined targets from an optimized library of artificial helicoidal repeat proteins (alphaRep)
Descriptor: 1,2-ETHANEDIOL, A3 artificial protein, bA3-2: binder of A3 protein
Authors:Guellouz, A, Valerio-Lepiniec, M, Urvoas, A, Chevrel, A, Graille, M, Fourati-Kammoun, Z, Desmadril, M, van Tilbeurgh, H, Minard, P.
Deposit date:2013-03-27
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selection of Specific Protein Binders for Pre-Defined Targets from an Optimized Library of Artificial Helicoidal Repeat Proteins (alphaRep).
Plos One, 8, 2013
5CHB
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BU of 5chb by Molmil
Crystal structure of nvPizza2-S16H58 coordinating a CdCl2 nanocrystal
Descriptor: CADMIUM ION, CHLORIDE ION, SULFATE ION, ...
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2015-07-10
Release date:2015-07-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biomineralization of a Cadmium Chloride Nanocrystal by a Designed Symmetrical Protein
Angew.Chem.Int.Ed.Engl., 54, 2015
7JRH
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BU of 7jrh by Molmil
X-ray crystal structure of a cyclic peptide containing medin(19-25) and medin(31-37)
Descriptor: CALCIUM ION, Cyclic peptide ASP-GLN-TRP-MLE-GLN-VAL-ASP-ORD-GLU-VAL-THR-GLY-ILE-ILE-THR-ORD
Authors:Wierzbicki, M, Howitz, W.J, Nowick, J.S.
Deposit date:2020-08-12
Release date:2020-09-09
Last modified:2020-09-30
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Interpenetrating Cubes in the X-ray Crystallographic Structure of a Peptide Derived from Medin 19-36 .
J.Am.Chem.Soc., 142, 2020
5AWL
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BU of 5awl by Molmil
CRYSTAL STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025
Descriptor: A mutant of Chignolin, CLN025
Authors:Akiba, T, Ishimura, M, Odahara, T, Harata, K, Honda, S.
Deposit date:2015-07-05
Release date:2015-08-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Crystal structure of a ten-amino acid protein
J.Am.Chem.Soc., 130, 2008

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數據於2024-07-24公開中

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