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6XJ5
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BU of 6xj5 by Molmil
Carboxypeptidase G2 modified with a versatile bioconjugate for metalloprotein design
分子名称: Carboxypeptidase G2, SULFATE ION, ZINC ION
著者Yachnin, B.J, Hansen, W.A, Khare, S.D.
登録日2020-06-22
公開日2021-06-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献A Bis(imidazole)-based cysteine labeling tool for metalloprotein assembly.
J.Inorg.Biochem., 244, 2023
7M6U
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BU of 7m6u by Molmil
Crystal structure of a circular permutation and computationally designed pro-enzyme of carboxypeptidase G2
分子名称: Carboxypeptidase G2 circular permuation pro-domain fusion, SULFATE ION, ZINC ION
著者Yachnin, B.J, Khare, S.D.
登録日2021-03-26
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Massively parallel, computationally guided design of a proenzyme.
Proc.Natl.Acad.Sci.USA, 119, 2022
4J9T
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BU of 4j9t by Molmil
Crystal structure of a putative, de novo designed unnatural amino acid dependent metalloprotein, northeast structural genomics consortium target OR61
分子名称: ARSENIC, GLYCEROL, designed unnatural amino acid dependent metalloprotein
著者Forouhar, F, Lew, S, Seetharaman, J, Mills, J.H, Khare, S.D, Everett, J.K, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-02-17
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
3T1G
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BU of 3t1g by Molmil
Engineering of organophosphate hydrolase by computational design and directed evolution
分子名称: CALCIUM ION, ZINC ION, organophosphate hydrolase
著者Takeuchi, R, Stoddard, B.L.
登録日2011-07-21
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis.
Nat.Chem.Biol., 8, 2012
4IX0
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BU of 4ix0 by Molmil
Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy
分子名称: NICKEL (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
著者Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
登録日2013-01-24
公開日2013-08-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
4IWW
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BU of 4iww by Molmil
Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy
分子名称: COBALT (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
著者Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
登録日2013-01-24
公開日2013-08-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
5BVB
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BU of 5bvb by Molmil
Engineered Digoxigenin binder DIG5.1a
分子名称: DIG5.1a, DIGOXIGENIN
著者Doyle, L.A, Stoddard, B.L.
登録日2015-06-04
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
4J8T
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BU of 4j8t by Molmil
Engineered Digoxigenin binder DIG10.2
分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2
著者Stoddard, B.L, Doyle, L.A.
登録日2013-02-14
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
4J9A
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BU of 4j9a by Molmil
Engineered Digoxigenin binder DIG10.3
分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3
著者Stoddard, B.L, Doyle, L.A.
登録日2013-02-15
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
7SPE
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BU of 7spe by Molmil
Crystal structure of sperm whale myoglobin variant sMb5(O2beY)
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Bacik, J.P, Fasan, R, Ando, N.
登録日2021-11-02
公開日2022-06-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
7SPF
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BU of 7spf by Molmil
Crystal structure of sperm whale myoglobin variant sMb5(pCaaF)
分子名称: Myoglobin, NITRATE ION, OXYGEN MOLECULE, ...
著者Bacik, J.P, Fasan, R, Ando, N.
登録日2021-11-02
公開日2022-06-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
7SPG
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BU of 7spg by Molmil
Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P212121
分子名称: CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bacik, J.P, Fasan, R, Ando, N.
登録日2021-11-02
公開日2022-06-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
7SPH
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BU of 7sph by Molmil
Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P21
分子名称: Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bacik, J.P, Fasan, R, Ando, N.
登録日2021-11-02
公開日2022-06-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
5V1Q
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BU of 5v1q by Molmil
Crystal structure of Streptococcus suis SuiB
分子名称: IRON/SULFUR CLUSTER, Radical SAM
著者Davis, K.M, Bacik, J.P, Ando, N.
登録日2017-03-02
公開日2017-08-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V1T
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BU of 5v1t by Molmil
Crystal structure of Streptococcus suis SuiB bound to precursor peptide SuiA
分子名称: IRON/SULFUR CLUSTER, METHIONINE, Radical SAM, ...
著者Davis, K.M, Bacik, J.P, Ando, N.
登録日2017-03-02
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V1S
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BU of 5v1s by Molmil
Crystal structure of Streptococcus suis SuiB bound to S-adenosylmethionine
分子名称: IRON/SULFUR CLUSTER, Radical SAM, S-ADENOSYLMETHIONINE
著者Davis, K.M, Bacik, J.P, Ando, N.
登録日2017-03-02
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.492 Å)
主引用文献Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3U13
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BU of 3u13 by Molmil
Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ...
著者Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-29
公開日2011-11-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3UAK
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BU of 3uak by Molmil
Crystal Structure of De Novo designed cysteine esterase ECH14, Northeast Structural Genomics Consortium Target OR54
分子名称: De Novo designed cysteine esterase ECH14
著者Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-10-21
公開日2011-12-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.232 Å)
主引用文献Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3U1O
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BU of 3u1o by Molmil
THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49
分子名称: De Novo design cysteine esterase ECH19, SODIUM ION, SULFATE ION
著者Kuzin, A, Su, M, Lew, S, Forouhar, F, Seetharaman, J, Daya, P, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-30
公開日2011-10-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3U1V
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BU of 3u1v by Molmil
X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52
分子名称: De Novo design cysteine esterase FR29
著者Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-30
公開日2011-12-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012

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