8X5K
 
 | | The Crystal Structure of SYK from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase SYK | | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Shen, Z. | | Deposit date: | 2023-11-17 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of SYK from Biortus.
To Be Published
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6K13
 | | Crystal Structure Basis for BmLDH Complex | | Descriptor: | L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID | | Authors: | Long, Y, Shen, Z. | | Deposit date: | 2019-05-09 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
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8C5J
 | | Spatial structure of Lch-alpha peptide from two-component lantibiotic system Lichenicidin VK21 | | Descriptor: | Lantibiotic lichenicidin VK21 A1 | | Authors: | Mineev, K.S, Paramonov, A.S, Arseniev, A.S, Ovchinnikova, T.V, Shenkarev, Z.O. | | Deposit date: | 2023-01-09 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Specific Binding of the alpha-Component of the Lantibiotic Lichenicidin to the Peptidoglycan Precursor Lipid II Predetermines Its Antimicrobial Activity.
Int J Mol Sci, 24, 2023
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7KYS
 | | Crystal structure of human BCCIP beta (Native2) | | Descriptor: | 1,2-ETHANEDIOL, BRCA2 and CDKN1A-interacting protein, DI(HYDROXYETHYL)ETHER | | Authors: | Choi, W.S, Liu, B, Shen, Z, Yang, W. | | Deposit date: | 2020-12-08 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of human BCCIP and implications for binding and modification of partner proteins.
Protein Sci., 30, 2021
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8Y66
 | | Cryo-EM structure of human urate transporter GLUT9 bound to inhibitor apigenin | | Descriptor: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Solute carrier family 2, facilitated glucose transporter member 9 | | Authors: | Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y. | | Deposit date: | 2024-02-01 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structural basis for urate recognition and apigenin inhibition of human GLUT9.
Nat Commun, 15, 2024
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8Y65
 | | Cryo-EM structure of human urate transporter GLUT9 bound to substrate urate | | Descriptor: | Solute carrier family 2, facilitated glucose transporter member 9, URIC ACID | | Authors: | Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y. | | Deposit date: | 2024-02-01 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Structural basis for urate recognition and apigenin inhibition of human GLUT9.
Nat Commun, 15, 2024
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7OSC
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7PVB
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7ZJL
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8DSD
 | | Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-S | | Descriptor: | (3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSC
 | | Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-R | | Descriptor: | (3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.321 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSH
 | | Human NAMPT in complex with quercitrin and AMPcP | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSE
 | | Human NAMPT in complex with substrate NAM and activator quercitrin | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, CHLORIDE ION, NICOTINAMIDE, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.428 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DTJ
 | | Human NAMPT in complex with small molecule activator ZN-43-S | | Descriptor: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-{2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-25 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.118 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSI
 | | Human NAMPT in complex with substrate NAM | | Descriptor: | CHLORIDE ION, GLYCEROL, NICOTINAMIDE, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSM
 | | Human NAMPT in complex with inhibitor ZN-4-3 | | Descriptor: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A structural mechanism for positive allosteric modulation of nicotinamide phosphoribosyltransferase to elevate cellular NAD+
To Be Published
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8F7L
 | | Human NAMPT in complex with substrate NAM and small molecule activator ZN-29-S | | Descriptor: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide, CHLORIDE ION, NICOTINAMIDE, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human NAMPT in complex with substrate NAM and small molecule activator ZN-29-S
To Be Published
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6P05
 | | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27 | | Descriptor: | Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | | Authors: | Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R. | | Deposit date: | 2019-05-16 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
J.Med.Chem., 63, 2020
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6ZSO
 | | Solution structure of the water-soluble LU-domain of human Lypd6b protein | | Descriptor: | Ly6/PLAUR domain-containing protein 6B | | Authors: | Tsarev, A.V, Kulbatskii, D.S, Paramonov, A.S, Lyukmanova, E.N, Shenkarev, Z.O. | | Deposit date: | 2020-07-16 | | Release date: | 2021-01-13 | | Method: | SOLUTION NMR | | Cite: | Structural Diversity and Dynamics of Human Three-Finger Proteins Acting on Nicotinic Acetylcholine Receptors.
Int J Mol Sci, 21, 2020
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4XQW
 | | X-ray structure analysis of xylanase-N44E with MES at pH6.0 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | Deposit date: | 2015-01-20 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4XPV
 | | Neutron and X-ray structure analysis of xylanase: N44D at pH6 | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | Deposit date: | 2015-01-18 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-27 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4XQ4
 | | X-ray structure analysis of xylanase - N44D | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | Deposit date: | 2015-01-19 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8BWB
 | | Spider toxin Pha1b (PnTx3-6) from Phoneutria nigriventer targeting CaV2.x calcium channels and TRPA1 channel | | Descriptor: | Omega-ctenitoxin-Pn4a | | Authors: | Mironov, P.A, Chernaya, E.M, Paramonov, A.S, Shenkarev, Z.O. | | Deposit date: | 2022-12-06 | | Release date: | 2023-06-21 | | Last modified: | 2023-07-05 | | Method: | SOLUTION NMR | | Cite: | Recombinant Production, NMR Solution Structure, and Membrane Interaction of the Ph alpha 1 beta Toxin, a TRPA1 Modulator from the Brazilian Armed Spider Phoneutria nigriventer .
Toxins, 15, 2023
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8B4R
 | | Antimicrobial peptide capitellacin from polychaeta Capitella teleta in DPC (dodecylphosphocholine) micelles, monomeric form | | Descriptor: | BRICHOS domain-containing protein | | Authors: | Mironov, P.A, Reznikova, O.V, Paramonov, A.S, Shenkarev, Z.O. | | Deposit date: | 2022-09-21 | | Release date: | 2023-10-04 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Dimerization of the beta-Hairpin Membrane-Active Cationic Antimicrobial Peptide Capitellacin from Marine Polychaeta: An NMR Structural and Thermodynamic Study.
Biomolecules, 14, 2024
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8B4S
 | | Antimicrobial peptide capitellacin from polychaeta Capitella teleta in DPC (dodecylphosphocholine) micelles, dimeric form | | Descriptor: | BRICHOS domain-containing protein | | Authors: | Mironov, P.A, Reznikova, O.V, Paramonov, A.S, Shenkarev, Z.O. | | Deposit date: | 2022-09-21 | | Release date: | 2023-10-04 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Dimerization of the beta-Hairpin Membrane-Active Cationic Antimicrobial Peptide Capitellacin from Marine Polychaeta: An NMR Structural and Thermodynamic Study.
Biomolecules, 14, 2024
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