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8PVF
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BU of 8pvf by Molmil
Structure of GAPDH determined by cryoEM at 100 keV
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J.
Deposit date:2023-07-17
Release date:2023-11-29
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure determination by cryoEM at 100 keV.
Proc.Natl.Acad.Sci.USA, 120, 2023
4KYK
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BU of 4kyk by Molmil
Crystal structure of mouse glyoxalase I complexed with indomethacin
Descriptor: INDOMETHACIN, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y.
Deposit date:2013-05-29
Release date:2013-08-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
4GHT
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BU of 4ght by Molmil
Crystal structure of EV71 3C proteinase in complex with AG7088
Descriptor: 3C proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Authors:Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T.
Deposit date:2012-08-08
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69, 2013
4KYH
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BU of 4kyh by Molmil
Crystal structure of mouse glyoxalase I complexed with zopolrestat
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y.
Deposit date:2013-05-29
Release date:2013-08-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
4GHQ
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BU of 4ghq by Molmil
Crystal structure of EV71 3C proteinase
Descriptor: 3C proteinase
Authors:Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T.
Deposit date:2012-08-08
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69, 2013
4TY9
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BU of 4ty9 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: 5-(trifluoromethyl)pyridin-2-amine, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TYA
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BU of 4tya by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: 4-(trifluoromethyl)benzoic acid, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
7EPW
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BU of 7epw by Molmil
Crystal structure of monooxygenase Tet(X4) with tigecycline
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase, TIGECYCLINE
Authors:Cheng, Q, Chen, S.
Deposit date:2021-04-28
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural and mechanistic basis of the high catalytic activity of monooxygenase Tet(X4) on tigecycline.
Bmc Biol., 19, 2021
7EPV
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BU of 7epv by Molmil
Crystal structure of tigecycline degrading monooxygenase Tet(X4)
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase, GLYCEROL
Authors:Cheng, Q, Chen, S.
Deposit date:2021-04-27
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural and mechanistic basis of the high catalytic activity of monooxygenase Tet(X4) on tigecycline.
Bmc Biol., 19, 2021
7TBM
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BU of 7tbm by Molmil
Composite structure of the dilated human nuclear pore complex (NPC) generated with a 37A in situ cryo-ET map of CD4+ T cell NPC
Descriptor: DDX19, NUP107 CTD, NUP107 NTD, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-12-22
Release date:2022-06-15
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (37 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7TBL
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BU of 7tbl by Molmil
Composite structure of the human nuclear pore complex (NPC) cytoplasmic face generated with a 12A cryo-ET map of the purified HeLa cell NPC
Descriptor: DDX19, ELYS, GLE1, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-12-22
Release date:2022-06-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (23 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
6WIV
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BU of 6wiv by Molmil
Structure of human GABA(B) receptor in an inactive state
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Park, J, Fu, Z, Frangaj, A, Liu, J, Mosyak, L, Shen, T, Slavkovich, V.N, Ray, K.M, Taura, J, Cao, B, Geng, Y, Zuo, H, Kou, Y, Grassucci, R, Chen, S, Liu, Z, Lin, X, Williams, J.P, Rice, W.J, Eng, E.T, Huang, R.K, Soni, R.K, Kloss, B, Yu, Z, Javitch, J.A, Hendrickson, W.A, Slesinger, P.A, Quick, M, Graziano, J, Yu, H, Fiehn, O, Clarke, O.B, Frank, J, Fan, Q.R.
Deposit date:2020-04-10
Release date:2020-07-01
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of human GABABreceptor in an inactive state.
Nature, 584, 2020
4GP3
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BU of 4gp3 by Molmil
The crystal structure of human fascin 1 K358A mutant
Descriptor: BROMIDE ION, CHLORIDE ION, Fascin, ...
Authors:Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
Deposit date:2012-08-20
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
4GP0
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BU of 4gp0 by Molmil
The crystal structure of human fascin 1 R149A K150A R151A mutant
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, ...
Authors:Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
Deposit date:2012-08-20
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
4GOV
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BU of 4gov by Molmil
The crystal structure of human fascin 1 S39D mutant
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ...
Authors:Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
Deposit date:2012-08-20
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
4GOY
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BU of 4goy by Molmil
The crystal structure of human fascin 1 K41A mutant
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ...
Authors:Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
Deposit date:2012-08-20
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
7SIM
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BU of 7sim by Molmil
Structure of positive allosteric modulator-free active human calcium-sensing receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
Deposit date:2021-10-14
Release date:2022-01-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SIN
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BU of 7sin by Molmil
Structure of negative allosteric modulator-bound inactive human calcium-sensing receptor
Descriptor: 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, Isoform 1 of Extracellular calcium-sensing receptor
Authors:Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
Deposit date:2021-10-14
Release date:2022-01-19
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SIL
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BU of 7sil by Molmil
Structure of positive allosteric modulator-bound active human calcium-sensing receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ...
Authors:Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
Deposit date:2021-10-14
Release date:2022-01-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
1OZ9
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BU of 1oz9 by Molmil
Crystal structure of AQ_1354, a hypothetical protein from Aquifex aeolicus
Descriptor: Hypothetical protein AQ_1354
Authors:Oganesyan, V, Busso, D, Brandsen, J, Chen, S, Jancarik, J, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
Deposit date:2003-04-08
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.894 Å)
Cite:Structure of the hypothetical protein AQ_1354 from Aquifex aeolicus.
Acta Crystallogr.,Sect.D, 59, 2003
4I5X
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BU of 4i5x by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid
Descriptor: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y.
Deposit date:2012-11-29
Release date:2013-10-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
4GQG
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BU of 4gqg by Molmil
Crystal structure of AKR1B10 complexed with NADP+
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X.
Deposit date:2012-08-23
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
1H69
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BU of 1h69 by Molmil
CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,3,5,6,TETRAMETHYL-P-BENZOQUINONE (DUROQUINONE) AT 2.5 ANGSTROM RESOLUTION
Descriptor: 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
Authors:Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M.
Deposit date:2001-06-08
Release date:2001-09-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones
Structure, 9, 2001
5BR4
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BU of 5br4 by Molmil
E. coli lactaldehyde reductase (FucO) M185C mutant
Descriptor: CHLORIDE ION, GLYCEROL, Lactaldehyde reductase, ...
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
Deposit date:2015-05-29
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Mutations in adenine-binding pockets enhance catalytic properties of NAD(P)H-dependent enzymes.
Protein Eng.Des.Sel., 29, 2016
4NFT
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BU of 4nft by Molmil
Crystal structure of human lnkH2B-h2A.Z-Anp32e
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member E, Histone H2B type 2-E, Histone H2A.Z
Authors:Shan, S, Pan, L, Mao, Z, Wang, W, Sun, J, Dong, Q, Liang, X, Ding, X, Chen, S, Dai, L, Zhang, Z, Zhu, B, Zhou, Z.
Deposit date:2013-11-01
Release date:2014-04-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Anp32e, a higher eukaryotic histone chaperone directs preferential recognition for H2A.Z
Cell Res., 24, 2014

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