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PDB: 547 results

6SU9
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BU of 6su9 by Molmil
Crystal structure of Plasmodium falciparum PdxK with ligands AMP-PNP and PL
Descriptor: 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Groves, M.R, Gao, K, Wang, W.
Deposit date:2019-09-13
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of Plasmodium falciparum PdxK with ligands AMP-PNP and PL.
Crystals, 2019
6SKS
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BU of 6sks by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH1)
Descriptor: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Groves, M.R, Wang, W, van Oosterwijk, N.
Deposit date:2019-08-16
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Target diazotransfer reagents to label metalloenzymes
To Be Published
6SKT
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BU of 6skt by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH0)
Descriptor: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Groves, M.R, Wang, W, van Oosterwijk, N.
Deposit date:2019-08-16
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Target diazotransfer reagents to label metalloenzymes
To Be Published
5CB2
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BU of 5cb2 by Molmil
the structure of candida albicans Sey1p in complex with GMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein SEY1
Authors:Yan, L, Sun, S, Wang, W, Shi, J, Hu, X, Wang, S, Rao, Z, Hu, J, Lou, Z.
Deposit date:2015-06-30
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015
3NBI
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BU of 3nbi by Molmil
Crystal structure of human RMI1 N-terminus
Descriptor: RecQ-mediated genome instability protein 1
Authors:Wang, F, Yang, Y, Singh, T.R, Busygina, V, Guo, R, Wan, K, Wang, W, Sung, P, Meetei, A.R, Lei, M.
Deposit date:2010-06-03
Release date:2010-09-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of RMI1 and RMI2, Two OB-Fold Regulatory Subunits of the BLM Complex.
Structure, 18, 2010
3NBH
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BU of 3nbh by Molmil
Crystal structure of human RMI1C-RMI2 complex
Descriptor: RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2
Authors:Wang, F, Yang, Y, Singh, T.R, Busygina, V, Guo, R, Wan, K, Wang, W, Sung, P, Meetei, A.R, Lei, M.
Deposit date:2010-06-03
Release date:2010-09-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of RMI1 and RMI2, Two OB-Fold Regulatory Subunits of the BLM Complex.
Structure, 18, 2010
4MGR
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BU of 4mgr by Molmil
The crystal structure of Bacillus subtilis GabR, an autorepressor and PLP- and GABA-dependent transcriptional activator of gabT
Descriptor: ACETATE ION, HTH-type transcriptional regulatory protein GabR, IMIDAZOLE, ...
Authors:Wu, R, Edayathumangalam, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D.
Deposit date:2013-08-28
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
5BMS
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BU of 5bms by Molmil
Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29
Descriptor: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 4
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-22
Release date:2015-07-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4WQ6
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BU of 4wq6 by Molmil
The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)
Descriptor: 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Li, D, Wang, W.
Deposit date:2014-10-21
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
5BKF
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BU of 5bkf by Molmil
Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, Glycine bound, desensitized state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alpha-2, ...
Authors:Yu, H, Wang, W.
Deposit date:2021-03-19
Release date:2021-09-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Characterization of the subunit composition and structure of adult human glycine receptors
Neuron, 109, 2021
5BKG
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BU of 5bkg by Molmil
Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, glycine bound, (semi)open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alpha-2, ...
Authors:Yu, H, Wang, W.
Deposit date:2021-03-19
Release date:2021-09-08
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Characterization of the subunit composition and structure of adult human glycine receptors
Neuron, 109, 2021
5KQA
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BU of 5kqa by Molmil
Crystal structure of buckwheat glutaredoxin-glutathione complex
Descriptor: GLUTATHIONE, Glutaredoxin-glutathione complex
Authors:Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
Deposit date:2016-07-06
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
9BIK
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BU of 9bik by Molmil
Crystal structure of inhibitor 1 bound to HPK1
Descriptor: (1S,2S)-N-[(6P)-8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Kiefer, J.T, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Siu, M, Heffron, T.P, Choo, E.F.
Deposit date:2024-04-23
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
9B3B
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BU of 9b3b by Molmil
Structure of TDP1 complexed with compound IB09
Descriptor: (8M)-8-{4-(benzylcarbamoyl)-2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke, T.R.
Deposit date:2024-03-18
Release date:2024-09-25
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of TDP1 complexed with compound IB09
To Be Published
9BJ1
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BU of 9bj1 by Molmil
Crystal structure of inhibitor GNE-6893 bound to HPK1
Descriptor: (4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, (9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one, 1,2-ETHANEDIOL, ...
Authors:Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M.
Deposit date:2024-04-24
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
9BI8
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BU of 9bi8 by Molmil
Crystal structure of inhibitor GNE-6893 bound to HPK1
Descriptor: (3R,4S)-4-methyloxolan-3-yl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 1, ...
Authors:Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M.
Deposit date:2024-04-22
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
1G6M
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BU of 1g6m by Molmil
NMR SOLUTION STRUCTURE OF CBT2
Descriptor: SHORT NEUROTOXIN 1
Authors:Cheng, Y, Wang, W, Wang, J.
Deposit date:2000-11-07
Release date:2000-11-22
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:NMR Solution structure of CBT2
To be Published
1JE9
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BU of 1je9 by Molmil
NMR SOLUTION STRUCTURE OF NT2
Descriptor: SHORT NEUROTOXIN II
Authors:Cheng, Y, Wang, W, Wang, J.
Deposit date:2001-06-16
Release date:2001-07-04
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Structure-function relationship of three neurotoxins from the venom of Naja kaouthia: a comparison between the NMR-derived structure of NT2 with its homologues, NT1 and NT3
BIOCHIM.BIOPHYS.ACTA, 1594, 2002
4XZC
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BU of 4xzc by Molmil
The crystal structure of Kupe virus nucleoprotein
Descriptor: Nucleoprotein
Authors:Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B.
Deposit date:2015-02-04
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins.
J.Virol., 89, 2015
4XZE
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BU of 4xze by Molmil
The crystal structure of Hazara virus nucleoprotein
Descriptor: Nucleoprotein
Authors:Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B.
Deposit date:2015-02-04
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins.
J.Virol., 89, 2015
4XZA
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BU of 4xza by Molmil
The crystal structure of Erve virus nucleoprotein
Descriptor: Nucleoprotein
Authors:Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B.
Deposit date:2015-02-04
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins.
J.Virol., 89, 2015
4XZ8
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BU of 4xz8 by Molmil
The crystal structure of Erve virus nucleoprotein
Descriptor: Nucleoprotein
Authors:Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B.
Deposit date:2015-02-04
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins.
J.Virol., 89, 2015
5KIT
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BU of 5kit by Molmil
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
Authors:Li, D, Wang, W.
Deposit date:2016-06-17
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
J.Med.Chem., 59, 2016
1DCH
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BU of 1dch by Molmil
CRYSTAL STRUCTURE OF DCOH, A BIFUNCTIONAL, PROTEIN-BINDING TRANSCRIPTION COACTIVATOR
Descriptor: DCOH (DIMERIZATION COFACTOR OF HNF-1), SULFATE ION
Authors:Endrizzi, J.A, Cronk, J.D, Wang, W, Crabtree, G.R, Alber, T.
Deposit date:1995-01-24
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of DCoH, a bifunctional, protein-binding transcriptional coactivator.
Science, 268, 1995
1FRY
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BU of 1fry by Molmil
THE SOLUTION STRUCTURE OF SHEEP MYELOID ANTIMICROBIAL PEPTIDE, RESIDUES 1-29 (SMAP29)
Descriptor: MYELOID ANTIMICROBIAL PEPTIDE
Authors:Tack, B.F, Sawai, M.V, Kearney, W.R, Robertson, A.D, Sherman, M.A, Wang, W, Hong, T, Boo, L.M, Wu, H, Waring, A.J, Lehrer, R.I.
Deposit date:2000-09-07
Release date:2002-03-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:SMAP-29 has two LPS-binding sites and a central hinge.
Eur.J.Biochem., 269, 2002

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