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6G6O
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BU of 6g6o by Molmil
Crystal structure of the computationally designed Ika8 protein: crystal packing No.1 in P63
Descriptor: GLYCEROL, Ika8
Authors:Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D.
Deposit date:2018-04-01
Release date:2018-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
8JH6
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BU of 8jh6 by Molmil
Crystal structure of apixaban-bound racemic ABLE
Descriptor: 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, D-ABLE, L-ABLE
Authors:Zhao, K, Li, T.
Deposit date:2023-05-22
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of apixaban-bound racemic ABLE
To Be Published
7LZ3
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BU of 7lz3 by Molmil
Computational design of constitutively active cGAS
Descriptor: Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION
Authors:Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P.
Deposit date:2021-03-08
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
8JYT
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BU of 8jyt by Molmil
Ancestral imine reducatase N560
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ancestra imine reductase
Authors:Zhu, X.X.
Deposit date:2023-07-03
Release date:2023-10-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The structure of ancestral imine reductase N560.
To Be Published
6H7I
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BU of 6h7i by Molmil
Trpzip2 structure in presence of exogenous haloprotectant molecule.
Descriptor: Trpzip2
Authors:Prior, S.H.
Deposit date:2018-07-31
Release date:2019-08-14
Method:SOLUTION NMR
Cite:Trpzip2 structure in presence of exogenous haloprotectant molecule.
To Be Published
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
6G6N
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BU of 6g6n by Molmil
Crystal structure of the computationally designed Tako8 protein in C2
Descriptor: Tako8
Authors:Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D.
Deposit date:2018-04-01
Release date:2018-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
6FPA
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BU of 6fpa by Molmil
Crystal structure of anti-mTFP1 DARPin 1238_G01 in space group P212121
Descriptor: DARPin 1238_G01
Authors:Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T.
Deposit date:2018-02-09
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
6I3B
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BU of 6i3b by Molmil
Crystal structure of cPizza6-AYW, a circularly permuted designer protein
Descriptor: cPizza6-AYW
Authors:Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D.
Deposit date:2018-11-05
Release date:2019-11-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1 Å)
Cite:Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
8JKU
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BU of 8jku by Molmil
Ancestal imine reductase
Descriptor: Ancestral imine reductase N559, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhu, X.X, Zheng, G.W.
Deposit date:2023-06-01
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structure of ancestral imine reductase at 2.56 Angstroms resolution.
To Be Published
6I37
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BU of 6i37 by Molmil
Crystal structure of nv1Pizza6-AYW, a circularly permuted designer protein
Descriptor: SULFATE ION, nv1Pizza6-AYW
Authors:Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D.
Deposit date:2018-11-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
6I39
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BU of 6i39 by Molmil
Crystal structure of v31Pizza6-AYW, a circularly permuted designer protein
Descriptor: MAGNESIUM ION, v31Pizza6-AYW
Authors:Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D.
Deposit date:2018-11-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
8OT7
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BU of 8ot7 by Molmil
Crystal structure of an 8-repeat consensus TPR superhelix with Barium
Descriptor: BARIUM ION, Consensus tetratricopeptide repeat protein
Authors:Liutkus, M, Rojas, A.L, Cortajarena, A.L.
Deposit date:2023-04-20
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
6I1J
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BU of 6i1j by Molmil
Selective formation of trinuclear transition metal centers in a trimeric helical peptide
Descriptor: A helical peptide containing a trinuclear Cu(II) center: HisAD, COPPER (II) ION
Authors:Boyle, A.L, Pannu, N.S.
Deposit date:2018-10-28
Release date:2019-09-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Selective coordination of three transition metal ions within a coiled-coil peptide scaffold.
Chem Sci, 10, 2019
6I38
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BU of 6i38 by Molmil
Crystal structure of nv2Pizza6-AYW, a circularly permuted designer protein
Descriptor: nv2Pizza6-AYW
Authors:Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D.
Deposit date:2018-11-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
6IMG
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BU of 6img by Molmil
Solution Structure of Bicyclic Peptide pb-13
Descriptor: (ACE)-GLY-CYS-PRO-CYS-ILE-TRP-PRO-GLU-LEU-CYS-PRO-TRP-ILE-ARG-SER-CYS-(NH2)
Authors:Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C.
Deposit date:2018-10-22
Release date:2019-08-28
Method:SOLUTION NMR
Cite:Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns.
Chembiochem, 20, 2019
6I3A
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BU of 6i3a by Molmil
Crystal structure of v22Pizza6-AYW, a circularly permuted designer protein
Descriptor: BROMIDE ION, v22Pizza6-AYW
Authors:Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D.
Deposit date:2018-11-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
8ATC
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BU of 8atc by Molmil
COMPLEX OF N-PHOSPHONACETYL-L-ASPARTATE WITH ASPARTATE CARBAMOYLTRANSFERASE. X-RAY REFINEMENT, ANALYSIS OF CONFORMATIONAL CHANGES AND CATALYTIC AND ALLOSTERIC MECHANISMS
Descriptor: ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ...
Authors:Ke, H, Lipscomb, W.N, Cho, Y, Honzatko, R.B.
Deposit date:1989-08-25
Release date:1990-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Complex of N-phosphonacetyl-L-aspartate with aspartate carbamoyltransferase. X-ray refinement, analysis of conformational changes and catalytic and allosteric mechanisms.
J.Mol.Biol., 204, 1988
8AED
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BU of 8aed by Molmil
Broadly neutralizing DARPin bnD.9 in complex with the HIV-1 envelope variable loop 3 peptide V3 (BG505)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Broadly neutralizing DARPin bnD.9, ...
Authors:Mittl, P, Gloegl, M.
Deposit date:2022-07-13
Release date:2023-08-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Trapping the HIV-1 V3 loop in a helical conformation enables broad neutralization.
Nat.Struct.Mol.Biol., 30, 2023
8BAO
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BU of 8bao by Molmil
Dysgonamonadaceae bacterium CRISPR ancillary nuclease 2
Descriptor: BROMIDE ION, Cyclic tetra-adenylate (cA4), DUF1887 family protein, ...
Authors:Li, A.W.H, Doherty, A.J.
Deposit date:2022-10-11
Release date:2022-11-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Reverse transcriptases prime DNA synthesis.
Nucleic Acids Res., 51, 2023
8B9Y
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BU of 8b9y by Molmil
Cysteine Synthase from Trypanosoma cruzi with PLP and OAS
Descriptor: Cysteine synthase, putative, GLYCEROL, ...
Authors:Sowerby, K.V, Pohl, E.
Deposit date:2022-10-10
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis.
Acta Crystallogr D Struct Biol, 79, 2023
8B9W
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BU of 8b9w by Molmil
Cysteine Synthase from Trypanosoma theileri with PLP bound
Descriptor: CHLORIDE ION, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Sowerby, K.V, Pohl, E.
Deposit date:2022-10-10
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis.
Acta Crystallogr D Struct Biol, 79, 2023
8B9M
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BU of 8b9m by Molmil
Cysteine Synthase from Leishmania Infantum
Descriptor: CHLORIDE ION, Cysteine synthase, GLYCEROL
Authors:Sowerby, K.V, Pohl, E.
Deposit date:2022-10-06
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis.
Acta Crystallogr D Struct Biol, 79, 2023
8BGJ
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BU of 8bgj by Molmil
Crystal structure of Reverse Transcriptase domain from Caloramator australicus CART-CAPP
Descriptor: L(+)-TARTARIC ACID, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Li, A.W.H, Doherty, A.J.
Deposit date:2022-10-27
Release date:2023-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Reverse transcriptases prime DNA synthesis.
Nucleic Acids Res., 51, 2023
8B45
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BU of 8b45 by Molmil
Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4
Descriptor: 1,2-ETHANEDIOL, CC-Tri-(UbUc)4, SODIUM ION, ...
Authors:Kumar, P, Martin, F.J.O, Dawson, W.M, Zieleniewski, F, Woolfson, D.N.
Deposit date:2022-09-19
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4
To Be Published

222926

数据于2024-07-24公开中

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