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6ZF4
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BU of 6zf4 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF7
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BU of 6zf7 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6DZZ
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BU of 6dzz by Molmil
Cryo-EM Structure of the wild-type human serotonin transporter in complex with ibogaine and 15B8 Fab in the inward conformation
Descriptor: (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ...
Authors:Yang, D, Coleman, J.A, Gouaux, E.
Deposit date:2018-07-05
Release date:2019-04-24
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
7LWD
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BU of 7lwd by Molmil
Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, ...
Authors:Yang, D, Kalenderoglou, I.E, Gouaux, E, Coleman, J.A, Loland, C.J.
Deposit date:2021-03-01
Release date:2021-08-11
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:The antidepressant drug vilazodone is an allosteric inhibitor of the serotonin transporter.
Nat Commun, 12, 2021
8YM7
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BU of 8ym7 by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with JH-45
Descriptor: 4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
Authors:Zhiyan, D, Danyan, C, Hong, J, Tongchao, L, Bing, X.
Deposit date:2024-03-08
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Discovery of Novel LSD1 Inhibitors for the Treatment of Autosomal Dominant Polycystic Kidney Disease
To Be Published
2LUU
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BU of 2luu by Molmil
NMR solution structure of midkine-b, mdkb
Descriptor: Midkine-related growth factor Mdk2
Authors:Yang, D, Lim, J, Meng, D.
Deposit date:2012-06-21
Release date:2013-05-01
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Structure-function analysis of full-length midkine reveals novel residues important for heparin binding and zebrafish embryogenesis.
Biochem.J., 451, 2013
2MQA
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BU of 2mqa by Molmil
3D structure of RP domain of MiSp
Descriptor: Minor ampullate fibroin 1
Authors:Yang, D, Gao, Z.
Deposit date:2014-06-16
Release date:2015-06-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:3D structure of RP domain of MiSp
To be Published
8WUA
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BU of 8wua by Molmil
cryo-EM structure of human TMEM63A
Descriptor: CSC1-like protein 1
Authors:Yang, D.
Deposit date:2023-10-20
Release date:2024-01-24
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A monomeric structure of human TMEM63A protein.
Proteins, 92, 2024
7BKX
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BU of 7bkx by Molmil
Diploptera punctata inspired lipocalin-like Milk protein expressed in Saccharomyces cerevisiae
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Banerjee, S, Kanagavijayan, D, Subramanian, R, Santhakumari, P.R, Chavas, L.M.G, Ramaswamy, S.
Deposit date:2021-01-17
Release date:2021-12-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of recombinantly expressed cockroach Lili-Mip protein in glycosylated and deglycosylated forms.
Biochim Biophys Acta Gen Subj, 1866, 2022
2M0M
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BU of 2m0m by Molmil
Structural Characterization of Minor Ampullate Spidroin Domains and their Distinct Roles in Fibroin Solubility and Fiber Formation
Descriptor: Minor ampullate fibroin 1
Authors:Yang, D, Gao, Z, Lin, Z, Huang, W, Lai, C, Fan, J.
Deposit date:2012-10-30
Release date:2013-03-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural characterization of minor ampullate spidroin domains and their distinct roles in fibroin solubility and fiber formation
Plos One, 8, 2013
1J97
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BU of 1j97 by Molmil
Phospho-Aspartyl Intermediate Analogue of Phosphoserine phosphatase
Descriptor: MAGNESIUM ION, PHOSPHATE ION, Phosphoserine Phosphatase
Authors:Cho, H, Wang, W, Kim, R, Yokota, H, Damo, S, Kim, S.-H, Wemmer, D, Kustu, S, Yan, D, Berkeley Structural Genomics Center (BSGC)
Deposit date:2001-05-24
Release date:2001-07-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BeF(3)(-) acts as a phosphate analog in proteins phosphorylated on aspartate: structure of a BeF(3)(-) complex with phosphoserine phosphatase.
Proc.Natl.Acad.Sci.USA, 98, 2001
1DJM
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BU of 1djm by Molmil
SOLUTION STRUCTURE OF BEF3-ACTIVATED CHEY FROM ESCHERICHIA COLI
Descriptor: CHEMOTAXIS PROTEIN Y
Authors:Cho, H.S, Lee, S.Y, Yan, D, Pan, X, Parkinson, J.S, Kustu, S, Wemmer, D.E, Pelton, J.G.
Deposit date:1999-12-03
Release date:2000-04-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of activated CheY.
J.Mol.Biol., 297, 2000
1F4V
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BU of 1f4v by Molmil
CRYSTAL STRUCTURE OF ACTIVATED CHEY BOUND TO THE N-TERMINUS OF FLIM
Descriptor: BERYLLIUM TRIFLUORIDE ION, CHEMOTAXIS CHEY PROTEIN, FLAGELLAR MOTOR SWITCH PROTEIN, ...
Authors:Lee, S.Y, Cho, H.S, Pelton, J.G, Yan, D, Henderson, R.K, King, D, Huang, L.S, Kustu, S, Berry, E.A, Wemmer, D.E.
Deposit date:2000-06-10
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of an activated response regulator bound to its target.
Nat.Struct.Biol., 8, 2001
1J56
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BU of 1j56 by Molmil
MINIMIZED AVERAGE STRUCTURE OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN: MODEL STRUCTURE INCORPORATING ACTIVE SITE CONTACTS
Descriptor: BERYLLIUM TRIFLUORIDE ION, NITROGEN REGULATION PROTEIN NR(I)
Authors:Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E.
Deposit date:2002-01-10
Release date:2003-08-19
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain
Biochemistry, 42, 2003
1KRX
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BU of 1krx by Molmil
SOLUTION STRUCTURE OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN: MODEL STRUCTURES INCORPORATING ACTIVE SITE CONTACTS
Descriptor: BERYLLIUM TRIFLUORIDE ION, NITROGEN REGULATION PROTEIN NR(I)
Authors:Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E.
Deposit date:2002-01-10
Release date:2003-08-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain
Biochemistry, 42, 2003
1KRW
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BU of 1krw by Molmil
SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN
Descriptor: NITROGEN REGULATION PROTEIN NR(I)
Authors:Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E.
Deposit date:2002-01-10
Release date:2003-08-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain
Biochemistry, 42, 2003
1FQW
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BU of 1fqw by Molmil
CRYSTAL STRUCTURE OF ACTIVATED CHEY
Descriptor: BERYLLIUM TRIFLUORIDE ION, CHEMOTAXIS CHEY PROTEIN, MANGANESE (II) ION
Authors:Lee, S.Y, Cho, H.S, Pelton, J.G, Yan, D, Berry, E.A, Wemmer, D.E.
Deposit date:2000-09-07
Release date:2001-07-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structure of activated CheY. Comparison with other activated receiver domains.
J.Biol.Chem., 276, 2001
6LCI
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BU of 6lci by Molmil
Solution structure of mdaA-1 domain
Descriptor: mdaA-1
Authors:Nguyen, T.A, Le, S, Lee, M, Fan, J.S, Yang, D, Yan, J, Jedd, G.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Fungal Wound Healing through Instantaneous Protoplasmic Gelation.
Curr.Biol., 31, 2021
8Z1E
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BU of 8z1e by Molmil
A homotrimeric GPCR architecture of the human cytomegalovirus (UL78) revealed by cryo-EM
Descriptor: Uncharacterized protein UL78
Authors:Chen, Y, Li, Y, Zhou, Q, Cong, Z, Lin, S, Yan, J, Chen, X, Yang, D, Ying, T, Wang, M.-W.
Deposit date:2024-04-11
Release date:2024-05-15
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:A homotrimeric GPCR architecture of the human cytomegalovirus revealed by cryo-EM.
Cell Discov, 10, 2024
1QKK
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BU of 1qkk by Molmil
Crystal structure of the receiver domain and linker region of DctD from Sinorhizobium meliloti
Descriptor: C4-DICARBOXYLATE TRANSPORT TRANSCRIPTIONAL REGULATORY PROTEIN
Authors:Meyer, M.G, Park, S, Zeringue, L, Staley, M, Mckinstry, M, Kaufman, R.I, Zhang, H, Yan, D, Yennawar, N, Farber, G.K, Nixon, B.T.
Deposit date:1999-07-23
Release date:2000-07-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A dimeric two-component receiver domain inhibits the sigma54-dependent ATPase in DctD.
Faseb J., 15, 2001
1S53
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BU of 1s53 by Molmil
Thr46Ser Bacteriorhodopsin
Descriptor: RETINAL, bacteriorhodopsin
Authors:Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U.
Deposit date:2004-01-19
Release date:2004-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing
J.Am.Chem.Soc., 126, 2004
1S52
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BU of 1s52 by Molmil
Thr24Val Bacteriorhodopsin
Descriptor: RETINAL, bacteriorhodopsin
Authors:Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U.
Deposit date:2004-01-19
Release date:2004-03-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing
J.Am.Chem.Soc., 126, 2004
1S51
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BU of 1s51 by Molmil
Thr24Ser Bacteriorhodopsin
Descriptor: RETINAL, bacteriorhodopsin
Authors:Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U.
Deposit date:2004-01-19
Release date:2004-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing
J.Am.Chem.Soc., 126, 2004
1S54
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BU of 1s54 by Molmil
Thr24Ala Bacteriorhodopsin
Descriptor: RETINAL, bacteriorhodopsin
Authors:Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U.
Deposit date:2004-01-19
Release date:2004-03-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing
J.Am.Chem.Soc., 126, 2004
5VEW
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BU of 5vew by Molmil
Structure of the human GLP-1 receptor complex with PF-06372222
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin chimera, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine, ...
Authors:Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C.
Deposit date:2017-04-05
Release date:2017-05-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017

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