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2R82
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BU of 2r82 by Molmil
Pyruvate phosphate dikinase (PPDK) triple mutant R219E/E271R/S262D adapts a second conformational state
Descriptor: Pyruvate, phosphate dikinase, SULFATE ION
Authors:Lim, K, Read, R.J, Chen, C.C, Herzberg, O.
Deposit date:2007-09-10
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Swiveling domain mechanism in pyruvate phosphate dikinase.
Biochemistry, 46, 2007
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
Descriptor: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365
Authors:Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
Deposit date:2023-04-06
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
1DWW
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BU of 1dww by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin
Descriptor: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ...
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1999-12-14
Release date:2000-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
1DWX
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BU of 1dwx by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ...
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1999-12-14
Release date:2000-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
1DWV
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BU of 1dwv by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and 4-amino tetrahydrobiopterin
Descriptor: 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ...
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1999-12-14
Release date:2000-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
1NOS
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BU of 1nos by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114), IMIDAZOLE COMPLEX
Descriptor: IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1997-09-28
Release date:1998-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Science, 278, 1997
1NOC
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BU of 1noc by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) COMPLEXED WITH TYPE I E. COLI CHLORAMPHENICOL ACETYL TRANSFERASE AND IMIDAZOLE
Descriptor: IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1997-09-28
Release date:1998-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Science, 278, 1997
4Z7X
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BU of 4z7x by Molmil
MdbA protein, a thiol-disulfide oxidoreductase from Actinomyces oris.
Descriptor: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, MdbA
Authors:OSIPIUK, J, Reardon-Robinson, M.E, Ton-That, H, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-04-08
Release date:2015-04-22
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Disulfide Bond-forming Machine Is Linked to the Sortase-mediated Pilus Assembly Pathway in the Gram-positive Bacterium Actinomyces oris.
J.Biol.Chem., 290, 2015
7RSP
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BU of 7rsp by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSV
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BU of 7rsv by Molmil
Structure of the VPS34 kinase domain with compound 5
Descriptor: (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSJ
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BU of 7rsj by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
8HT7
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BU of 8ht7 by Molmil
The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*TP*GP*GP*G)-3'), GLN-ALA-GLN-ALA-THR-ILE-SER-PHE-PRO-LYS-ARG-LYS-LEU-SER-TRP
Authors:Liu, C, Zhu, G, Geng, Y, Xu, N.
Deposit date:2022-12-20
Release date:2023-12-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex.
Int.J.Biol.Macromol., 260, 2024
7W8K
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BU of 7w8k by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp1
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8O
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BU of 7w8o by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-a
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8Z
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BU of 7w8z by Molmil
Solution structures of a disulfide-rich peptide designed through sequence grafting
Descriptor: drp4
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-09
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7BR3
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BU of 7br3 by Molmil
Crystal structure of the protein 1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ...
Authors:Cheng, L, Shao, Z.
Deposit date:2020-03-26
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nat Commun, 11, 2020
7W96
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BU of 7w96 by Molmil
Solution structures of a disulfide-rich peptide that can bind KEAP1
Descriptor: drp6
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-09
Release date:2022-11-09
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7WEI
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BU of 7wei by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
Descriptor: drp8I
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-23
Release date:2022-11-09
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7WE3
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BU of 7we3 by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
Descriptor: DRP8II
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-22
Release date:2022-11-09
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8R
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BU of 7w8r by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-b
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8T
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BU of 7w8t by Molmil
Solution structures of a disulfide-rich peptide that can bind KEAP1
Descriptor: DRP3
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
5FG0
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BU of 5fg0 by Molmil
Structure of the conserved yeast listerin (Ltn1) N-terminal domain, MONOCLINIC FORM
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase listerin, POTASSIUM ION
Authors:Doamekpor, S.K, Lima, C.D.
Deposit date:2015-12-19
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure and function of the yeast listerin (Ltn1) conserved N-terminal domain in binding to stalled 60S ribosomal subunits.
Proc.Natl.Acad.Sci.USA, 113, 2016
5XLZ
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BU of 5xlz by Molmil
The crystal structure of tubulin complexed with a benzylidene derivative of 9(10H)-anthracenone
Descriptor: 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2017-05-12
Release date:2017-11-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structure of a benzylidene derivative of 9(10H)-anthracenone in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 495, 2018
5GWN
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BU of 5gwn by Molmil
Crystal structure of human RCC2
Descriptor: Protein RCC2, SULFATE ION
Authors:Liang, L, Yun, C.H, Yin, Y.X.
Deposit date:2016-09-12
Release date:2017-09-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.309 Å)
Cite:RCC2 is a novel p53 target in suppressing metastasis.
Oncogene, 37, 2018
5EZY
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BU of 5ezy by Molmil
Crystal structure of T2R-TTL-taccalonolide AJ complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2015-11-27
Release date:2017-01-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mechanism of microtubule stabilization by taccalonolide AJ
Nat Commun, 8, 2017

220113

數據於2024-05-22公開中

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