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6UF4
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BU of 6uf4 by Molmil
S2 symmetric peptide design number 4 crystal form 2, Pugsley
Descriptor: S2-4, Pusgley crystal form 2
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-23
Release date:2020-12-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF9
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BU of 6uf9 by Molmil
S4 symmetric peptide design number 1, Tim apo form
Descriptor: S4-1, Tim apo-form, SULFATE ION
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-24
Release date:2020-12-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UG6
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BU of 6ug6 by Molmil
C3 symmetric peptide design number 1, Sporty, crystal form 2
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, C3-1, ...
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-25
Release date:2020-12-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UGB
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BU of 6ugb by Molmil
C3 symmetric peptide design number 2, Baby Basil
Descriptor: C3 symmetric peptide design number 2, Baby Basil, CHLORIDE ION, ...
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-26
Release date:2020-12-02
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UDW
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BU of 6udw by Molmil
S2 symmetric peptide design number 3 crystal form 2, Lurch
Descriptor: S2-3, Lurch crystal form 2
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
4ESA
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BU of 4esa by Molmil
X-ray structure of carbonmonoxy hemoglobin of Eleginops maclovinus
Descriptor: CARBON MONOXIDE, GLYCEROL, Hemoglobin alpha chain, ...
Authors:Merlino, A, Vitagliano, L, Mazzarella, L, Vergara, A.
Deposit date:2012-04-23
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:ATP regulation of the ligand-binding properties in temperate and cold-adapted haemoglobins. X-ray structure and ligand-binding kinetics in the sub-Antarctic fish Eleginops maclovinus.
Mol Biosyst, 8, 2012
6UF7
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BU of 6uf7 by Molmil
S2 symmetric peptide design number 5, Uncle Fester
Descriptor: S2-5, Uncle Fester
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-23
Release date:2020-12-02
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF8
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BU of 6uf8 by Molmil
S2 symmetric peptide design number 6, London Bridge
Descriptor: S2-6, London Bridge
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-23
Release date:2020-12-02
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UFU
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BU of 6ufu by Molmil
C2 symmetric peptide design number 1, Zappy, crystal form 1
Descriptor: C2-1, Zappy, crystal form 1
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-25
Release date:2020-12-02
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UG3
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BU of 6ug3 by Molmil
C3 symmetric peptide design number 1, Sporty, crystal form 1
Descriptor: C3-1, Sporty, crystal form 1, ...
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-25
Release date:2020-12-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UGC
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BU of 6ugc by Molmil
C3 symmetric peptide design number 3
Descriptor: C3-3 cyclic peptide design, CADMIUM ION, SODIUM ION
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-26
Release date:2020-12-02
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UDR
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BU of 6udr by Molmil
S2 symmetric peptide design number 3 crystal form 1, Lurch
Descriptor: S2-3, Lurch crystal form 1
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2020-12-02
Method:X-RAY DIFFRACTION (1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UCX
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BU of 6ucx by Molmil
S2 symmetric peptide design number 1, Wednesday
Descriptor: S2-1, Wednesday, trifluoroacetic acid
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-18
Release date:2020-09-23
Last modified:2021-07-28
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UDZ
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BU of 6udz by Molmil
S2 symmetric peptide design number 4 crystal form 1, Pugsley
Descriptor: S2-4, Pusgley crystal form 1, trifluoroacetic acid
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-20
Release date:2020-09-23
Last modified:2020-12-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UD9
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BU of 6ud9 by Molmil
S2 symmetric peptide design number 2, Morticia
Descriptor: S2-2, Morticia
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2020-12-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
8G4K
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BU of 8g4k by Molmil
Complex of TbRII mini protein binder bound to the TbRII ECD
Descriptor: 5HCS_TGFBR2_1, SULFATE ION, TGF-beta receptor type-2
Authors:Schwartze, T.S, Hinck, A.P.
Deposit date:2023-02-09
Release date:2024-08-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Computational Design of High Affinity Binders to Convex Protein Target Sites
To be Published
8GAB
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BU of 8gab by Molmil
Crystal structure of CTLA-4 in complex with a high affinity CTLA-4 binder
Descriptor: CTLA-4 binder, Cytotoxic T-lymphocyte protein 4, POTASSIUM ION
Authors:Yang, W, Almo, S.C, Ghosh, A.
Deposit date:2023-02-22
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Design of High Affinity Binders to Convex Protein Target Sites.
Biorxiv, 2024
8GAD
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BU of 8gad by Molmil
Crystal structure of a high affinity PD-L1 binder
Descriptor: INDOLE, PD-L1 binder
Authors:Yang, W, Almo, S.C, Ghosh, A.
Deposit date:2023-02-22
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Design of High Affinity Binders to Convex Protein Target Sites.
Biorxiv, 2024
8GAC
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BU of 8gac by Molmil
Crystal structure of a high affinity CTLA-4 binder
Descriptor: 1,2-ETHANEDIOL, CTLA-4 binder
Authors:Yang, W, Almo, S.C, Ghosh, A.
Deposit date:2023-02-22
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of High Affinity Binders to Convex Protein Target Sites.
Biorxiv, 2024
6I9R
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BU of 6i9r by Molmil
Large subunit of the human mitochondrial ribosome in complex with Virginiamycin M and Quinupristin
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Modelska, A, Aibara, S, Amunts, A.
Deposit date:2018-11-25
Release date:2020-07-08
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Inhibition of mitochondrial translation suppresses glioblastoma stem cell growth.
Cell Rep, 35, 2021
2Y7S
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BU of 2y7s by Molmil
Structure of a designed meningococcal antigen (factor H binding protein, mutant G1) inducing broad protective immunity
Descriptor: FACTOR H BINDING PROTEIN
Authors:Malito, E, Spraggon, G, Bottomley, M.J.
Deposit date:2011-02-01
Release date:2011-07-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of a Meningococcal Antigen Inducing Broad Protective Immunity.
Sci.Transl.Med, 3, 2011
2UBP
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BU of 2ubp by Molmil
STRUCTURE OF NATIVE UREASE FROM BACILLUS PASTEURII
Descriptor: NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), PROTEIN (UREASE BETA SUBUNIT), ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:1998-11-04
Release date:1999-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels.
Structure Fold.Des., 7, 1999
5OC8
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BU of 5oc8 by Molmil
HDM2 (17-111, WILD TYPE) COMPLEXED WITH NVP-HDM201 AT 1.56A
Descriptor: (4~{S})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2017-06-29
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Dose and Schedule Determine Distinct Molecular Mechanisms Underlying the Efficacy of the p53-MDM2 Inhibitor HDM201.
Cancer Res., 78, 2018
3GS4
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BU of 3gs4 by Molmil
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid (inhibitor 15)
Descriptor: 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
Deposit date:2009-03-26
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
3GLZ
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BU of 3glz by Molmil
Human Transthyretin (TTR) complexed with(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid (inhibitor 11)
Descriptor: 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid, Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
Deposit date:2009-03-12
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis
Plos One, 4, 2009

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