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1VKA
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BU of 1vka by Molmil
Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment
分子名称: Microtubule-associated protein RP/EB family member 1
著者Liu, Z.-J, Tempel, W, Schubot, F.D, Shah, A, Dailey, T.A, Mayer, M.R, Rose, J.P, Dailey, H.A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-05-10
公開日2004-07-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment
TO BE PUBLISHED
5HLL
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BU of 5hll by Molmil
Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
分子名称: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Helliwell, J.R.
登録日2016-01-15
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5H31
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BU of 5h31 by Molmil
Structural basis for dimerization of the death effector domains of Caspase-8
分子名称: Caspase-8
著者Shen, C, Pei, J, Guo, X, Quan, J.
登録日2016-10-19
公開日2017-10-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.16953516 Å)
主引用文献Structural basis for dimerization of the death effector domains of Caspase-8
To Be Published
5I6U
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BU of 5i6u by Molmil
The crystal structure of PI3Kdelta with compound 32
分子名称: 2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.G.
登録日2016-02-16
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.842 Å)
主引用文献The crystal structure of PI3Kdelta with compound 32
To Be Published
7WGA
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BU of 7wga by Molmil
2.2 ANGSTROMS RESOLUTION STRUCTURE ANALYSIS OF TWO REFINED N-ACETYLNEURAMINYLLACTOSE-WHEAT GERM AGGLUTININ ISOLECTIN COMPLEXES
分子名称: WHEAT GERM LECTIN
著者Wright, C.S.
登録日1990-04-03
公開日1990-10-15
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2.2 A resolution structure analysis of two refined N-acetylneuraminyl-lactose--wheat germ agglutinin isolectin complexes.
J.Mol.Biol., 215, 1990
7JY2
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BU of 7jy2 by Molmil
Z-DNA joint X-ray/Neutron
分子名称: Chains: A,B
著者Harp, J.M, Coates, L, Egli, M.
登録日2020-08-28
公開日2021-04-28
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
6BE2
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BU of 6be2 by Molmil
Crystal structure of a polysaccharide-binding human Fab (F598)
分子名称: Fab (F598) Heavy Chain, Fab (F598) Light Chain
著者Soliman, C, Ramsland, P.A.
登録日2017-10-24
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for antibody targeting of the broadly expressed microbial polysaccharide poly-N-acetylglucosamine.
J. Biol. Chem., 293, 2018
6BE3
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BU of 6be3 by Molmil
Crystal structure of a polysaccharide-binding human Fab (F598) in complex with N-acetyl-D-glucosamine (GlcNAc)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab (F598) Heavy Chain, Fab (F598) Light Chain
著者Soliman, C, Ramsland, P.A.
登録日2017-10-24
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for antibody targeting of the broadly expressed microbial polysaccharide poly-N-acetylglucosamine.
J. Biol. Chem., 293, 2018
6BE4
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BU of 6be4 by Molmil
Crystal structure of a polysaccharide-binding human Fab (F598) in complex with nona-N-acetyl-D-glucosamine (9NAc)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab (F598) Heavy Chain, Fab(F598) Light Chain
著者Soliman, C, Ramsland, P.A.
登録日2017-10-24
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for antibody targeting of the broadly expressed microbial polysaccharide poly-N-acetylglucosamine.
J. Biol. Chem., 293, 2018
6HLK
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BU of 6hlk by Molmil
Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
分子名称: Redirecting phage packaging protein C (RppC)
著者Penades, J.R, Bacarizo, J, Marina, A, Alqasmi, M, Fillol-Salom, A, Roszak, A.W, Ciges-Tomas, J.R.
登録日2018-09-11
公開日2019-07-31
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Mol.Cell, 75, 2019
7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
登録日2021-02-05
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7JMC
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BU of 7jmc by Molmil
Sheep Connexin-50 at 2.5 angstroms resolution, Lipid Class 3
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-07-31
公開日2020-09-09
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
6DI7
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BU of 6di7 by Molmil
Vps1 GTPase-BSE fusion complexed with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative sorting protein
著者Varlakhanova, N.V, Brady, T.M, Ford, M.G.J.
登録日2018-05-22
公開日2018-08-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of the fungal dynamin-related protein Vps1 reveal a unique, open helical architecture.
J. Cell Biol., 217, 2018
4DF6
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BU of 4df6 by Molmil
Crystal Structure of the inhibitor NXL104 Covalent Adduct with TB B-lactamase
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
著者Hazra, S, Blanchard, J.
登録日2012-01-23
公開日2012-07-18
最終更新日2015-06-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献NXL104 irreversibly inhibits the {beta}-lactamase from Mycobacterium tuberculosis.
Biochemistry, 51, 2012
3FZS
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BU of 3fzs by Molmil
Crystal Structure of PYK2 complexed with BIRB796
分子名称: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZO
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BU of 3fzo by Molmil
Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase
分子名称: Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZR
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BU of 3fzr by Molmil
Crystal structure of PYK2 complexed with PF-431396
分子名称: N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZP
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BU of 3fzp by Molmil
Crystal structure of PYK2 complexed with ATPgS
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZT
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BU of 3fzt by Molmil
Crystal structure of PYK2 complexed with PF-4618433
分子名称: 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea, Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3M6H
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BU of 3m6h by Molmil
Crystal Structure of Post-isomerized Ertapenem Covalent Adduct with TB B-lactamase
分子名称: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W.
登録日2010-03-15
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
1SDA
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BU of 1sda by Molmil
CRYSTAL STRUCTURE OF PEROXYNITRITE-MODIFIED BOVINE CU,ZN SUPEROXIDE DISMUTASE
分子名称: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
著者Smith, C.D, Carson, M, Van Der Woerd, M, Chen, J, Ischiropoulos, H, Beckman, J.S.
登録日1993-01-13
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of peroxynitrite-modified bovine Cu,Zn superoxide dismutase.
Arch.Biochem.Biophys., 299, 1992
4Q8I
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BU of 4q8i by Molmil
Crystal Structure of beta-lactamase from M.tuberculosis covalently complexed with Tebipenem
分子名称: (4R,5S)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Hazra, S, Blanchard, J.
登録日2014-04-27
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Tebipenem, a new carbapenem antibiotic, is a slow substrate that inhibits the beta-lactamase from Mycobacterium tuberculosis.
Biochemistry, 53, 2014
4QHC
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Structure of M.Tuberculosis Betalactamase (Blac) with inhibitor having novel mechanism
分子名称: (3R,6R,7S)-7-[(2R,3aR)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Hazra, S, Blanchard, J.
登録日2014-05-28
公開日2015-07-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Kinetic and Structural Characterization of the Interaction of 6-Methylidene Penem 2 with the beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 54, 2015
4QB8
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Crystal Structure of beta-lactamase from M.tuberculosis forming Michaelis Menten with Tebipenem
分子名称: Beta-lactamase, PHOSPHATE ION, TEBIPENEM
著者Hazra, S, Blanchard, J.
登録日2014-05-06
公開日2014-08-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.758 Å)
主引用文献Tebipenem, a new carbapenem antibiotic, is a slow substrate that inhibits the beta-lactamase from Mycobacterium tuberculosis.
Biochemistry, 53, 2014
1BW9
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PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE
分子名称: 1,2-ETHANEDIOL, 3-PHENYLPYRUVIC ACID, ISOPROPYL ALCOHOL, ...
著者Vanhooke, J.L, Thoden, J.B, Brunhuber, N.M.W, Blanchard, J.L, Holden, H.M.
登録日1998-10-01
公開日1999-05-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Phenylalanine dehydrogenase from Rhodococcus sp. M4: high-resolution X-ray analyses of inhibitory ternary complexes reveal key features in the oxidative deamination mechanism.
Biochemistry, 38, 1999

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