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6W50
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2020-03-12
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
6WQL
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BU of 6wql by Molmil
Solution structure of the seed peptide C2 (VBP-1) from pumpkin
分子名称: Seed peptide C2 (VBP-1)
著者Payne, C.P, Rosengren, K.J.
登録日2020-04-29
公開日2020-10-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Defining the Familial Fold of the Vicilin-Buried Peptide Family.
J.Nat.Prod., 83, 2020
7D2O
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BU of 7d2o by Molmil
Solution structure of Gaussia Luciferase by NMR
分子名称: Luciferase
著者Kobayashi, N, Wu, N, Kuroda, Y, Yamazaki, T.
登録日2020-09-17
公開日2020-12-02
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of Gaussia Luciferase with five disulfide bonds and identification of a putative coelenterazine binding cavity by heteronuclear NMR.
Sci Rep, 10, 2020
5C6L
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BU of 5c6l by Molmil
Crystal Structure of Gadolinium derivative of HEWL solved using intense Free-Electron Laser radiation
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N.
登録日2015-06-23
公開日2015-07-08
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Towards phasing using high X-ray intensity.
Iucrj, 2, 2015
5C6J
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BU of 5c6j by Molmil
Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser radiation
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N.
登録日2015-06-23
公開日2015-07-08
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Towards phasing using high X-ray intensity.
Iucrj, 2, 2015
5DMQ
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BU of 5dmq by Molmil
Crystal structure of mouse eRF1 in complex with Reverse Transcriptase (RT) of Moloney Murine Leukemia Virus
分子名称: Eukaryotic peptide chain release factor subunit 1, Reverse transcriptase/ribonuclease H p80
著者Tang, T, Song, H.
登録日2015-09-09
公開日2016-07-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus
Nat Commun, 7, 2016
5C6I
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BU of 5c6i by Molmil
Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser radiation
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N.
登録日2015-06-23
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Towards phasing using high X-ray intensity.
Iucrj, 2, 2015
5T5V
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BU of 5t5v by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 293K
分子名称: FE (III) ION, Seed linoleate 13S-lipoxygenase-1
著者Poss, E.M, Fraser, J.S.
登録日2016-08-31
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling.
ACS Cent Sci, 3, 2017
5BMU
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BU of 5bmu by Molmil
The crystal structure of the GST-like domains complex of AIMP3-EPRS mutant C92SC105SC123S
分子名称: Eukaryotic translation elongation factor 1 epsilon-1, Glutamate--tRNA ligase
著者Cho, H.J, Kang, B.S.
登録日2015-05-23
公開日2015-10-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Assembly of Multi-tRNA Synthetase Complex via Heterotetrameric Glutathione Transferase-homology Domains
J.Biol.Chem., 290, 2015
5T9F
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BU of 5t9f by Molmil
Prephenate Dehydrogenase N222D mutant from Soybean
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prephenate dehydrogenase 1, TYROSINE
著者Holland, C.K, Jez, J.M.
登録日2016-09-09
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Molecular basis of the evolution of alternative tyrosine biosynthetic routes in plants.
Nat. Chem. Biol., 13, 2017
5DMR
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BU of 5dmr by Molmil
Crystal Structure of C-terminal domain of mouse eRF1 in complex with RNase H domain of RT of Moloney Murine Leukemia Virus
分子名称: Eukaryotic peptide chain release factor subunit 1, Reverse transcriptase/ribonuclease H p80
著者Tang, X, Song, H.
登録日2015-09-09
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus
Nat Commun, 7, 2016
5T95
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BU of 5t95 by Molmil
Prephenate Dehydrogenase M219T, N222D mutant from Soybean
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prephenate dehydrogenase 1, TYROSINE
著者Holland, C.K, Jez, J.M.
登録日2016-09-09
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Molecular basis of the evolution of alternative tyrosine biosynthetic routes in plants.
Nat. Chem. Biol., 13, 2017
5T9E
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BU of 5t9e by Molmil
Seleno-methionine Prephenate Dehydrogenase from Soybean
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prephenate dehydrogenase 1
著者Holland, C.K, Jez, J.M, Lee, S.G.
登録日2016-09-09
公開日2017-06-28
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Molecular basis of the evolution of alternative tyrosine biosynthetic routes in plants.
Nat. Chem. Biol., 13, 2017
5F21
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BU of 5f21 by Molmil
human CD38 in complex with nanobody MU375
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, GLYCEROL, SULFATE ION, ...
著者Hao, Q, Zhang, H.
登録日2015-12-01
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
5F1K
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BU of 5f1k by Molmil
human CD38 in complex with nanobody MU1053
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU1053
著者Zhang, H, Hao, Q.
登録日2015-11-30
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
5F1O
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human CD38 in complex with nanobody MU551
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU551
著者Zhang, H, Hao, Q.
登録日2015-11-30
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
5TR0
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BU of 5tr0 by Molmil
Lipoxygenase-1 (soybean) L754A mutant at 293K
分子名称: FE (II) ION, Seed linoleate 13S-lipoxygenase-1
著者Poss, E.M, Fraser, J.S.
登録日2016-10-24
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
5TQP
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BU of 5tqp by Molmil
LIPOXYGENASE-1 (SOYBEAN) I553G MUTANT AT 300K
分子名称: FE (III) ION, Seed linoleate 13S-lipoxygenase-1
著者Poss, E.M, Fraser, J.S.
登録日2016-10-24
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling.
ACS Cent Sci, 3, 2017
5TQO
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BU of 5tqo by Molmil
Lipoxygenase-1 (soybean) L546A/L754A mutant at 300K
分子名称: FE (III) ION, Seed linoleate 13S-lipoxygenase-1
著者Poss, E.M, Fraser, J.S, Gee, C.
登録日2016-10-24
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
4Z6O
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BU of 4z6o by Molmil
Structure of H200E variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with HPCA at 1.63 Ang resolution
分子名称: 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Kovaleva, E.G, Lipscomb, J.D.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
4Z6N
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BU of 4z6n by Molmil
Structure of H200N variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum at 1.52 Ang resolution
分子名称: CALCIUM ION, CHLORIDE ION, FE (II) ION, ...
著者Kovaleva, E.G, Lipscomb, J.D.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
4Z6T
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BU of 4z6t by Molmil
Structure of H200N variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-sulfonyl catechol at 1.50 Ang resolution
分子名称: 3,4-dihydroxybenzenesulfonic acid, CALCIUM ION, CHLORIDE ION, ...
著者Kovaleva, E.G, Lipscomb, J.D.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
4Z6R
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BU of 4z6r by Molmil
Structure of H200E variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-sulfonyl catechol at 1.70 Ang resolution
分子名称: 1,2-ETHANEDIOL, 3,4-dihydroxybenzenesulfonic acid, CALCIUM ION, ...
著者Kovaleva, E.G, Lipscomb, J.D.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
2FED
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BU of 2fed by Molmil
Structure of the E203Q mutant of the Cl-/H+ exchanger CLC-ec1 from E.Coli
分子名称: Fab fragment, heavy chain, light chain, ...
著者Accardi, A, Walden, M.P, Nguitragool, W, Jayaram, H, Williams, C, Miller, C.
登録日2005-12-15
公開日2006-01-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.317 Å)
主引用文献Separate ion pathways in a Cl-/H+ exchanger
J.Gen.Physiol., 126, 2005
4Z6Q
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Structure of H200N variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with HPCA at 1.57 Ang resolution
分子名称: 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Kovaleva, E.G, Lipscomb, J.D.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015

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