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5Y28
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BU of 5y28 by Molmil
Crystal structure of H. pylori HtrA with PDZ2 deletion
Descriptor: 1,2-ETHANEDIOL, Periplasmic serine endoprotease DegP-like, UNK-UNK-UNK-UNK
Authors:Zhang, Z, Huang, Q, Tao, X.
Deposit date:2017-07-24
Release date:2018-08-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.08606815 Å)
Cite:The unique trimeric assembly of the virulence factor HtrA fromHelicobacter pylorioccurs via N-terminal domain swapping.
J.Biol.Chem., 294, 2019
5Y2D
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BU of 5y2d by Molmil
Crystal structure of H. pylori HtrA
Descriptor: Periplasmic serine endoprotease DegP-like, UNK-UNK-K-UNK-UNK-UNK-UNK-UNK-UNK-UNK, UNK-UNK-UNK, ...
Authors:Zhang, Z, Huang, Q, Tao, X.
Deposit date:2017-07-25
Release date:2018-08-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.70009851 Å)
Cite:The unique trimeric assembly of the virulence factor HtrA fromHelicobacter pylorioccurs via N-terminal domain swapping.
J.Biol.Chem., 294, 2019
8WYA
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BU of 8wya by Molmil
Cryo-EM structure of DSR2-tube complex
Descriptor: Bacillus phage SPbeta tube protein, SIR2 family protein
Authors:Zhang, J.T, Jia, N, Liu, X.Y.
Deposit date:2023-10-30
Release date:2024-04-10
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
1MOD
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BU of 1mod by Molmil
HIGH-RESOLUTION CRYSTAL STRUCTURES OF DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Quillin, M.L, Phillips Jr, G.N.
Deposit date:1994-12-01
Release date:1995-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
1MOA
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BU of 1moa by Molmil
A NOVEL SITE-DIRECTED MUTANT OF MYOGLOBIN WITH AN UNUSUALLY HIGH O2 AFFINITY AND LOW AUTOOXIDATION RATE
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Quillin, M.L, Phillips Jr, G.N.
Deposit date:1994-12-01
Release date:1995-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel site-directed mutant of myoglobin with an unusually high O2 affinity and low autooxidation rate.
J.Biol.Chem., 267, 1992
1MOB
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BU of 1mob by Molmil
HIGH-RESOLUTION CRYSTAL STRUCTURES OF DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Quillin, M.L, Phillips Jr, G.N.
Deposit date:1994-12-01
Release date:1995-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
7JQD
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BU of 7jqd by Molmil
Crystal Structure of PAC1r in complex with peptide antagonist
Descriptor: Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor
Authors:Piper, D.E, Hu, E, Fang-Tsao, H.
Deposit date:2020-08-10
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model.
J.Med.Chem., 64, 2021
8VSG
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BU of 8vsg by Molmil
SARS-CoV-2 main protease with covalent inhibitor
Descriptor: (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Bell, J.A, Bandera, A.M.
Deposit date:2024-01-24
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.071 Å)
Cite:Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Bioorg.Med.Chem., 103, 2024
8WYC
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BU of 8wyc by Molmil
Cryo-EM structure of DSR2 (H171A)-tube-NAD+ (partial) complex
Descriptor: Bacillus phage SPR Tube protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein
Authors:Zhang, J.T, Jia, N, Liu, X.Y.
Deposit date:2023-10-30
Release date:2024-04-10
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
8WY8
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BU of 8wy8 by Molmil
Cryo-EM structure of DSR2 apo complex
Descriptor: SIR2 family protein
Authors:Zhang, J.T, Jia, N, Liu, X.Y.
Deposit date:2023-10-30
Release date:2024-04-10
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
8WYB
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BU of 8wyb by Molmil
Cryo-EM structure of DSR2 (H171A)-tube-NAD+ complex
Descriptor: Bacillus phage SPR Tube protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein
Authors:Zhang, J.T, Jia, N, Liu, X.Y.
Deposit date:2023-10-30
Release date:2024-04-10
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
3OHR
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BU of 3ohr by Molmil
Crystal structure of fructokinase from bacillus subtilis complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Putative fructokinase, SULFATE ION, ...
Authors:Nocek, B, Volkart, L, Cuff, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-08-17
Release date:2010-09-15
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural studies of ROK fructokinase YdhR from Bacillus subtilis: insights into substrate binding and fructose specificity.
J.Mol.Biol., 406, 2011
8Y7L
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BU of 8y7l by Molmil
Crystal Structure of Nur77 LBD in complex with N-(2'-(4-hydroxypiperidin-1-yl)-[4,4'-bipyridin]-2-yl)cinnamamide
Descriptor: (~{E})-~{N}-[4-[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]pyridin-2-yl]-3-phenyl-prop-2-enamide, Nuclear receptor subfamily 4immunitygroup A member 1
Authors:Hong, W.B, Lin, T.W.
Deposit date:2024-02-04
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.683 Å)
Cite:Discovery of a novel exceptionally potent and orally active Nur77 ligand NB1 with a distinct binding mode for cancer therapy
Acta Pharm Sin B, 2024
4HLW
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BU of 4hlw by Molmil
Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzoimidazole derivatives.
Descriptor: 2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole, Androgen receptor, GLYCEROL, ...
Authors:Ravi, S.N.M, Leblanc, E, Axerio-Cilies, P, Labriere, C, Frewin, K, Hassona, M.D.H, Lack, N.A, Han, F.Q, Guns, E.S, Young, R, Ban, F, Rennie, P.S, Cherkasov, A.
Deposit date:2012-10-17
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting the Binding Function 3 (BF3) Site of the Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole Derivatives.
J.Med.Chem., 56, 2013
4O19
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BU of 4o19 by Molmil
The crystal structure of a mutant NAMPT (G217V)
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
3GL6
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BU of 3gl6 by Molmil
Crystal structure of JARID1A-PHD3 complexed with H3(1-9)K4me3 peptide
Descriptor: Histone H3, Histone demethylase JARID1A, ZINC ION
Authors:Wang, Z, Song, J, Patel, D.J.
Deposit date:2009-03-11
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Haematopoietic malignancies caused by dysregulation of a chromatin-binding PHD finger.
Nature, 459, 2009
4OPE
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BU of 4ope by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmH KS7
Descriptor: NITRATE ION, NRPS/PKS
Authors:Osipiuk, J, Mack, J, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-02-05
Release date:2014-02-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4P4W
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BU of 4p4w by Molmil
Dodecamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MVA)AVK
Descriptor: CHLORIDE ION, CYCLIC HEXADECAPEPTIDE (ORN)YLL(PHI)YTE(ORN)KVA(MVA)AVK, SODIUM ION, ...
Authors:Spencer, R.K, Kreutzer, A, Nowick, J.S.
Deposit date:2014-03-13
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
3LM9
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BU of 3lm9 by Molmil
Crystal structure of fructokinase with ADP and Fructose bound in the active site
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ZINC ION, ...
Authors:Nocek, B, Stein, A, Cuff, M, Volkart, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-01-29
Release date:2010-03-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural studies of ROK fructokinase YdhR from Bacillus subtilis: insights into substrate binding and fructose specificity.
J.Mol.Biol., 406, 2011
3LPY
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BU of 3lpy by Molmil
Crystal structure of the RRM domain of CyP33
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peptidyl-prolyl cis-trans isomerase E, SULFATE ION
Authors:Wang, Z, Patel, D.J.
Deposit date:2010-02-07
Release date:2010-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pro isomerization in MLL1 PHD3-bromo cassette connects H3K4me readout to CyP33 and HDAC-mediated repression.
Cell(Cambridge,Mass.), 141, 2010
3LQH
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BU of 3lqh by Molmil
Crystal structure of MLL1 PHD3-Bromo in the free form
Descriptor: Histone-lysine N-methyltransferase MLL, ZINC ION
Authors:Wang, Z, Patel, D.J.
Deposit date:2010-02-09
Release date:2010-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Pro isomerization in MLL1 PHD3-bromo cassette connects H3K4me readout to CyP33 and HDAC-mediated repression.
Cell(Cambridge,Mass.), 141, 2010
4P4V
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BU of 4p4v by Molmil
Hexamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MAA)AVK
Descriptor: CHLORIDE ION, CYCLIC HEXADECAPEPTIDE (ORN)YLL(PHI)YTE(ORN)KVA(MAA)AVK, SULFATE ION
Authors:Spencer, R.K, Nowick, J.S.
Deposit date:2014-03-13
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
4P4Z
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BU of 4p4z by Molmil
Octomer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVT(MVA)TVK
Descriptor: CYCLIC HEXADECAPEPTIDE (ORN)YLL(PHI)YTE(ORN)KVT(MVA)TVK, PHOSPHATE ION, SODIUM ION
Authors:Spencer, R.K, Nowick, J.S.
Deposit date:2014-03-13
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
7CF8
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BU of 7cf8 by Molmil
PfkB(Mycobacterium marinum)
Descriptor: Fructokinase, PfkB, GLYCEROL, ...
Authors:Li, J, Gao, B, Ji, R.
Deposit date:2020-06-24
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural analysis and functional study of phosphofructokinase B (PfkB) from Mycobacterium marinum.
Biochem.Biophys.Res.Commun., 579, 2021
4O1C
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BU of 4o1c by Molmil
The crystal structures of a mutant NAMPT H191R
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014

223532

数据于2024-08-07公开中

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