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5TTO
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BU of 5tto by Molmil
X-ray crystal structure of PPARgamma in complex with SR1643
分子名称: 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma
著者Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A.
登録日2016-11-04
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics.
J. Med. Chem., 60, 2017
6AVM
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BU of 6avm by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.5 WITH CROSS-LINKING TO SECOND BASE TEMPLATE OVERHANG
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ...
著者Martinez, S.E, Das, K, Arnold, E.
登録日2017-09-03
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
6AX7
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BU of 6ax7 by Molmil
The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus
分子名称: FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase
著者Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M.
登録日2017-09-06
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
4XY6
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BU of 4xy6 by Molmil
Crystal Structure of mutant (Thr68Ala) Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4
分子名称: Hypothetical Thioesterase Protein SP_1851
著者Khandokar, Y.B, Srivastava, P, Forwood, J.K.
登録日2015-02-02
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of mutant (Thr68Ala) Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4
To Be Published
5TW9
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BU of 5tw9 by Molmil
1.50 Angstrom Crystal Structure of C-terminal Fragment (residues 322-384) of Iron Uptake System Component EfeO from Yersinia pestis.
分子名称: 1,2-ETHANEDIOL, IODIDE ION, Iron uptake system component EfeO
著者Minasov, G, Shuvalova, L, Flores, K, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-11-11
公開日2016-11-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献1.50 Angstrom Crystal Structure of C-terminal Fragment (residues 322-384) of Iron Uptake System Component EfeO from Yersinia pestis.
To Be Published
4XZ2
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BU of 4xz2 by Molmil
Human platelet phosphofructokinase in an R-state in complex with ADP and F6P, crystal form I
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ...
著者Kloos, M, Strater, N.
登録日2015-02-03
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Biochem.J., 469, 2015
6AY0
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BU of 6ay0 by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide
分子名称: COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase
著者Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
登録日2017-09-07
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
5TX1
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BU of 5tx1 by Molmil
Cryo-Electron microscopy structure of species-D human adenovirus 26
分子名称: Fiber, Hexon protein, PIIIa, ...
著者Reddy, V, Yu, X, Veesler, D.
登録日2016-11-15
公開日2017-05-31
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of human adenovirus D26 reveals the conservation of structural organization among human adenoviruses.
Sci Adv, 3, 2017
4XXS
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BU of 4xxs by Molmil
Crystal structure of BACE1 with a pyrazole-substituted tetrahydropyran thioamidine
分子名称: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Parris, K.D, Pandit, J.
登録日2015-01-30
公開日2015-04-01
最終更新日2015-04-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
4XY8
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BU of 4xy8 by Molmil
Crystal Structure of the bromodomain of BRD9 in complex with a 2-amine-9H-purine ligand
分子名称: 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, BROMIDE ION, Bromodomain-containing protein 9
著者Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
登録日2015-02-02
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
2N6M
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BU of 2n6m by Molmil
Structural elucidation of the frog skin-derived peptide Esculentin-1a[Esc(1-21)NH2] inLipopolysaccharide and correlation with their function
分子名称: Esculentin-1A
著者Ghosh, A, Bhunia, A.
登録日2015-08-26
公開日2016-03-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure and binding of esculentin-1a (1-21)NH2 and its diastereomer to lipopolysaccharide: Correlation with biological functions
Biochim.Biophys.Acta, 1858, 2015
2NCP
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BU of 2ncp by Molmil
NMR solution structure for the C-terminal domain of Tetrahymena Tcb2 in the presence of calcium
分子名称: 25 kDa calcium-binding protein
著者Fowler, A, Kilpatrick, A.M.
登録日2016-04-11
公開日2016-08-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structures of the C-domain of Tetrahymena cytoskeletal protein Tcb2 reveal distinct calcium-induced structural rearrangements.
Proteins, 84, 2016
2N70
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BU of 2n70 by Molmil
Two-fold symmetric structure of the 18-60 construct of S31N M2 from Influenza A in lipid bilayers
分子名称: Matrix protein 2
著者Andreas, L.B, Reese, M, Eddy, M.T, Gelev, V, Ni, Q, Miller, E.A, Emsley, L, Pintacuda, G, Chou, J.J, Griffin, R.G.
登録日2015-09-01
公開日2015-09-23
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structure and Mechanism of the Influenza A M218-60 Dimer of Dimers.
J.Am.Chem.Soc., 137, 2015
4Y4Z
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BU of 4y4z by Molmil
Endothiapepsin in complex with fragment 73
分子名称: (1Z)-N,N-diethylethanimidamide, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y58
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BU of 4y58 by Molmil
Endothiapepsin in complex with fragment 260
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Wang, X, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
to be published
4Y5K
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BU of 4y5k by Molmil
Endothiapepsin in complex with fragment 274
分子名称: (1S)-2-amino-1-(4-fluorophenyl)ethanol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Wang, X, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.439 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
to be published
4Y5W
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BU of 4y5w by Molmil
Transcription factor-DNA complex
分子名称: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*GP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*CP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
著者Li, J, Niu, F, Ouyang, S, Liu, Z.
登録日2015-02-12
公開日2016-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
2NBW
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BU of 2nbw by Molmil
Solution structure of the Rpn1 T1 site with the Rad23 UBL domain
分子名称: 26S proteasome regulatory subunit RPN1, UV excision repair protein RAD23
著者Chen, X, Walters, K.J.
登録日2016-03-14
公開日2016-07-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structures of Rpn1 T1:Rad23 and hRpn13:hPLIC2 Reveal Distinct Binding Mechanisms between Substrate Receptors and Shuttle Factors of the Proteasome.
Structure, 24, 2016
4Y6U
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BU of 4y6u by Molmil
Mycobacterial protein
分子名称: 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, ...
著者Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
登録日2015-02-13
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.271 Å)
主引用文献A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
2NAD
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BU of 2nad by Molmil
HIGH RESOLUTION STRUCTURES OF HOLO AND APO FORMATE DEHYDROGENASE
分子名称: AZIDE ION, NAD-DEPENDENT FORMATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Lamzin, V.S, Dauter, Z, Popov, V.O, Harutyunyan, E.H, Wilson, K.S.
登録日1994-07-06
公開日1995-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献High resolution structures of holo and apo formate dehydrogenase.
J.Mol.Biol., 236, 1994
6B0X
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BU of 6b0x by Molmil
Capsid protein and C-terminal part of scaffolding protein in the Staphylococcus aureus phage 80alpha procapsid
分子名称: Major head protein, Scaffold protein
著者Kizziah, J.L, Dearborn, A.D, Dokland, T.
登録日2017-09-15
公開日2017-10-18
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Competing scaffolding proteins determine capsid size during mobilization ofStaphylococcus aureuspathogenicity islands.
Elife, 6, 2017
6ANI
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BU of 6ani by Molmil
Coltuximab Fab in complex with anti-Kappa VHH domain
分子名称: Anti-Kappa VHH domain, Coltuximab Fab heavy chain, Coltuximab Fab light chain, ...
著者Ereno Orbea, J, Sicard, T, Julien, J.-P.
登録日2017-08-13
公開日2018-01-31
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments.
J. Mol. Biol., 430, 2018
6AP1
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BU of 6ap1 by Molmil
Vps4p-Vta1p complex with peptide binding to the central pore of Vps4p
分子名称: ACE-ASP-GLU-ILE-VAL-ASN-LYS-VAL-LEU-NH2, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
著者Han, H, Monroe, N, Shen, P, Sundquist, W.I, Hill, C.P.
登録日2017-08-16
公開日2017-12-06
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets.
Elife, 6, 2017
5U5W
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BU of 5u5w by Molmil
CcP gateless cavity
分子名称: 3-methylquinolin-4-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
著者Fischer, M, Shoichet, B.K.
登録日2016-12-07
公開日2017-02-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UDO
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BU of 5udo by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua Phage Integrase (Tetragonal Form II)
分子名称: A118 serine integrase
著者Gupta, K, Yuan, J.B, Sharp, R, Van Duyne, G.D.
登録日2016-12-28
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017

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