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6ANF
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BU of 6anf by Molmil
Design of a short thermo-stable alpha-helix embedded in a macrocycle
分子名称: 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide
著者Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F.
登録日2017-08-13
公開日2018-02-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018
6BTA
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BU of 6bta by Molmil
CypA Mutant - S99T C115S
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Fraser, J.S, Kenner, L.R, Liu, L.
登録日2017-12-06
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rescue of conformational dynamics in enzyme catalysis by directed evolution.
Nat Commun, 9, 2018
5DQR
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BU of 5dqr by Molmil
The crystal structure of Arabidopsis 7-hydroxymethyl chlorophyll a reductase (HCAR)
分子名称: 7-hydroxymethyl chlorophyll a reductase, chloroplastic, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Wang, X, Liu, L.
登録日2015-09-15
公開日2016-04-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure and Catalytic Mechanism of 7-Hydroxymethyl Chlorophyll a Reductase
J.Biol.Chem., 291, 2016
7KEO
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BU of 7keo by Molmil
Crystal structure of K29-linked di-ubiquitin in complex with synthetic antigen binding fragment
分子名称: PHOSPHATE ION, Synthetic antigen binding fragment, heavy chain, ...
著者Yu, Y, Zheng, Q, Erramilli, S, Pan, M, Kossiakoff, A, Liu, L, Zhao, M.
登録日2020-10-11
公開日2021-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献K29-linked ubiquitin signaling regulates proteotoxic stress response and cell cycle.
Nat.Chem.Biol., 17, 2021
7JH6
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BU of 7jh6 by Molmil
De novo designed two-domain di-Zn(II) and porphyrin-binding protein
分子名称: NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ...
著者Schmidt, N, Liu, L, DeGrado, W.F.
登録日2020-07-20
公開日2020-12-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Allosteric cooperation in a de novo-designed two-domain protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
5WLL
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BU of 5wll by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH1
分子名称: GLYCEROL, Helical Bundle 4DH1, ZINC ION
著者Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日2017-07-27
公開日2018-01-03
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
7JY5
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BU of 7jy5 by Molmil
Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97)
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Pan, M, Yu, Y, Liu, L, Zhao, M.
登録日2020-08-28
公開日2021-01-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
5VBT
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BU of 5vbt by Molmil
Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor
分子名称: UBH04
著者DONG, A, DONG, X, LIU, L, GUO, Y, LI, Y, ZHANG, W, WALKER, J.R, SIDHU, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC)
登録日2017-03-30
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor
to be published
7DTT
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BU of 7dtt by Molmil
Human Calcium-Sensing Receptor bound with calcium ions
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTW
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BU of 7dtw by Molmil
Human Calcium-Sensing Receptor in the inactive close-close conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTV
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BU of 7dtv by Molmil
Human Calcium-Sensing Receptor bound with L-Trp and calcium ions
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTU
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BU of 7dtu by Molmil
Human Calcium-Sensing Receptor bound with L-Trp
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ...
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
5WLJ
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BU of 5wlj by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH1
分子名称: De Novo Metal Binding Helical Bundle, ZINC ION
著者Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日2017-07-27
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5WLM
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BU of 5wlm by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH2
分子名称: Helical Bundle 4DH2, ZINC ION
著者Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日2017-07-27
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5WLK
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BU of 5wlk by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2
分子名称: Helical Bundle 4EH2, ZINC ION
著者Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日2017-07-27
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5CHE
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BU of 5che by Molmil
Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its regulatory proteins
分子名称: Glutamyl-tRNA reductase 1, chloroplastic, Glutamyl-tRNA reductase-binding protein, ...
著者Fang, Y, Liu, L.
登録日2015-07-10
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.203 Å)
主引用文献The Arabidopsis glutamyl-tRNA reductase (GluTR) forms a ternary complex with FLU and GluTR-binding protein
Sci Rep, 6, 2016
5WZE
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BU of 5wze by Molmil
The structure of Pseudomonas aeruginosa aminopeptidase PepP
分子名称: 1,2-ETHANEDIOL, ALANINE, Aminopeptidase P, ...
著者Bao, R, Peng, C.T, Liu, L, He, L.H, Li, C.C, Li, T, Shen, Y.L, Zhu, Y.B, Song, Y.J.
登録日2017-01-17
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Structure-Function Relationship of Aminopeptidase P from Pseudomonas aeruginosa.
Front Microbiol, 8, 2017
5FEJ
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BU of 5fej by Molmil
CopM in the Cu(I)-bound form
分子名称: COPPER (I) ION, CopM
著者Zhao, S, Wang, X, Liu, L.
登録日2015-12-17
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM.
Acta Crystallogr D Struct Biol, 72, 2016
5FFA
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BU of 5ffa by Molmil
CopM (with an N-terminal His-tag) in the apo form
分子名称: CopM
著者Zhao, S, Wang, X, Liu, L.
登録日2015-12-18
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM.
Acta Crystallogr D Struct Biol, 72, 2016
4J4D
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BU of 4j4d by Molmil
Structure of P51G Cyanovirin-N swapped dimer in the P21212 space group
分子名称: Cyanovirin-N
著者Koharudin, L.M.I, Liu, L, Gronenborn, A.M.
登録日2013-02-06
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Different 3D domain-swapped oligomeric cyanovirin-N structures suggest trapped folding intermediates.
Proc.Natl.Acad.Sci.USA, 110, 2013
4J4C
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BU of 4j4c by Molmil
Structure of P51G Cyanovirin-N swapped dimer in the P3221 space group
分子名称: Cyanovirin-N
著者Koharudin, L.M.I, Liu, L, Gronenborn, A.M.
登録日2013-02-06
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Different 3D domain-swapped oligomeric cyanovirin-N structures suggest trapped folding intermediates.
Proc.Natl.Acad.Sci.USA, 110, 2013
4J4F
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BU of 4j4f by Molmil
Structure of P51G Cyanovirin-N swapped tetramer in the P212121 space group
分子名称: Cyanovirin-N
著者Koharudin, L.M.I, Liu, L, Gronenborn, A.M.
登録日2013-02-06
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Different 3D domain-swapped oligomeric cyanovirin-N structures suggest trapped folding intermediates.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MQU
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BU of 4mqu by Molmil
Human GKRP complexed to AMG-3969 and S6P
分子名称: 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
著者St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L.
登録日2013-09-16
公開日2014-05-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
4MRO
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BU of 4mro by Molmil
Human GKRP bound to AMG-5980 and S6P
分子名称: 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
著者St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C.
登録日2013-09-17
公開日2014-05-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
6JKV
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BU of 6jkv by Molmil
PppA, a key regulatory component of T6SS in Pseudomonas aeruginosa
分子名称: MANGANESE (II) ION, PppA
著者Wang, T, Liu, L, Wu, Y, Li, D.
登録日2019-03-02
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of PppA from Pseudomonas aeruginosa, a key regulatory component of type VI secretion systems.
Biochem.Biophys.Res.Commun., 516, 2019

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