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6OXV
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BU of 6oxv by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-85
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OY3
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BU of 6oy3 by Molmil
nhTMEM16 L302A +Ca2+ in nanodiscs
分子名称: CALCIUM ION, nhTMEM16
著者Falzone, M, Lee, B.C, Accardi, A.
登録日2019-05-14
公開日2019-11-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Dynamic modulation of the lipid translocation groove generates a conductive ion channel in Ca 2+ -bound nhTMEM16.
Nat Commun, 10, 2019
6OXY
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BU of 6oxy by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-19
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
2Z5F
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BU of 2z5f by Molmil
Human sulfotransferase Sult1b1 in complex with PAP
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase family cytosolic 1B member 1
著者Dombrovski, L, Pegasova, T, Wu, H, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2007-07-07
公開日2007-08-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of human sulfotransferases SULT1B1 and SULT1C1 complexed with the cofactor product adenosine-3'-5'-diphosphate (PAP)
Proteins, 64, 2006
2M2D
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BU of 2m2d by Molmil
Human programmed cell death 1 receptor
分子名称: Programmed cell death protein 1
著者Veverka, V, Cheng, X, Waters, L.C, Muskett, F.W, Morgan, S, Lesley, A, Griffiths, M, Stubberfield, C, Griffin, R, Henry, A.J, Robinson, M.K, Jansson, A, Ladbury, J.E, Ikemizu, S, Davis, S.J, Carr, M.D.
登録日2012-12-18
公開日2013-02-27
最終更新日2013-05-15
実験手法SOLUTION NMR
主引用文献Structure and interactions of the human programmed cell death 1 receptor.
J.Biol.Chem., 288, 2013
2BKK
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BU of 2bkk by Molmil
Crystal structure of Aminoglycoside Phosphotransferase APH(3')-IIIa in complex with the inhibitor AR_3a
分子名称: ADENOSINE-5'-DIPHOSPHATE, AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERASE, DESIGNED ANKYRIN REPEAT INHIBITOR AR_3A, ...
著者Kohl, A, Amstutz, P, Parizek, P, Binz, H.K, Briand, C, Capitani, G, Forrer, P, Pluckthun, A, Grutter, M.G.
登録日2005-02-16
公開日2005-08-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Allosteric Inhibition of Aminoglycoside Phosphotransferase by a Designed Ankyrin Repeat Protein
Structure, 13, 2005
1WND
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BU of 1wnd by Molmil
Escherichia coli YdcW gene product is a medium-chain aldehyde dehydrogenase as determined by kinetics and crystal structure
分子名称: CALCIUM ION, Putative betaine aldehyde dehydrogenase
著者Gruez, A, Roig-Zamboni, V, Tegoni, M, Cambillau, C.
登録日2004-07-29
公開日2004-10-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure and Kinetics Identify Escherichia coli YdcW Gene Product as a Medium-chain Aldehyde Dehydrogenase
J.Mol.Biol., 343, 2004
5EWD
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BU of 5ewd by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED18
分子名称: 4-phenylpyridine, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-20
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
2JDH
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BU of 2jdh by Molmil
Lectin PA-IIL of P.aeruginosa complexed with disaccharide derivative
分子名称: 2H-1,2,3-TRIAZOL-4-YLMETHANOL, CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, ...
著者Marotte, K, Sabin, C, Preville, C, Pymbock, M, Deguise, I, Wimmerova, M, Mitchell, E.P, Imberty, A, Roy, R.
登録日2007-01-09
公開日2007-07-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献X-Ray Structures and Thermodynamics of the Interaction of Pa-Iil from Pseudomonas Aeruginosa with Disaccharide Derivatives.
Chemmedchem, 2, 2007
7ENZ
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BU of 7enz by Molmil
Crystal structure of Phenanthredinone moiety in complex with the second bromodomain of BRD2 (BRD2-BD2).
分子名称: Bromodomain-containing protein 2, TRIETHYLENE GLYCOL, phenanthridin-6(5H)-one
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S.
登録日2021-04-21
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
7ENV
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BU of 7env by Molmil
crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2 (BRD2-BD1).
分子名称: 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, SULFATE ION
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S.
登録日2021-04-19
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
7EO5
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BU of 7eo5 by Molmil
Crystal structure of pyrano 1,3, oxazine derivative in complex with the second bromodomain of BRD2
分子名称: 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, TRIETHYLENE GLYCOL
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S.
登録日2021-04-21
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
6P56
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BU of 6p56 by Molmil
Crystal structure of the transpeptidase domain of a T498A mutant of PBP2 from Neisseria gonorrhoeae
分子名称: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
著者Singh, A, Davies, C.
登録日2019-05-29
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
3EOZ
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BU of 3eoz by Molmil
Crystal Structure of Phosphoglycerate Mutase from Plasmodium Falciparum, PFD0660w
分子名称: GLYCEROL, PHOSPHATE ION, putative Phosphoglycerate mutase
著者Wernimont, A.K, Tempel, W, Lam, A, Zhao, Y, Lew, J, Lin, Y.H, Wasney, G, Vedadi, M, Kozieradzki, I, Cossar, D, Schapira, M, Weigelt, J, Arrowsmith, C.H, Bochkarev, A, Edwards, A.M, Hui, R, Pizarro, J, Hills, T, Structural Genomics Consortium (SGC)
登録日2008-09-29
公開日2008-11-25
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterization of a new phosphatase from Plasmodium.
Mol.Biochem.Parasitol., 179, 2011
3EPE
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BU of 3epe by Molmil
Crystal Structure of the GluR4 Ligand-Binding domain in complex with glutamate
分子名称: GLUTAMIC ACID, Glutamate receptor 4,Glutamate receptor
著者Gill, A, Madden, D.R.
登録日2008-09-29
公開日2009-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Correlating AMPA receptor activation and cleft closure across subunits: crystal structures of the GluR4 ligand-binding domain in complex with full and partial agonists
Biochemistry, 47, 2008
4IB3
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BU of 4ib3 by Molmil
Structure of cAMP dependent protein kinase A in complex with ADP, phosphorylated peptide pSP20, and no metal
分子名称: ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, phosphorylated pseudo-substrate peptide pSP20
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-07
公開日2013-12-11
最終更新日2014-05-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
6OZV
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BU of 6ozv by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, SULFATE ION, ...
著者Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-16
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
2BKG
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BU of 2bkg by Molmil
Crystal structure of E3_19 a designed ankyrin repeat protein
分子名称: SYNTHETIC CONSTRUCT ANKYRIN REPEAT PROTEIN E3_19
著者Binz, H.K, Kohl, A, Pluckthun, A, Grutter, M.G.
登録日2005-02-16
公開日2006-06-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of a Consensus-Designed Ankyrin Repeat Protein: Implications for Stability
Proteins: Struct., Funct., Bioinf., 65, 2006
2JCN
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BU of 2jcn by Molmil
The crystal structure of BAK1 - a mitochondrial apoptosis regulator
分子名称: BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, SULFATE ION
著者Moche, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Lundgren, S, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Upsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2006-12-27
公開日2007-01-04
最終更新日2018-06-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Crystal Structure of Bak1 - an Apoptosis Trigger in the Mitochondrial Outer Membrane
To be Published
2UUN
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BU of 2uun by Molmil
Crystal structure of C-phycocyanin from Phormidium, Lyngbya spp. (Marine) and Spirulina sp. (Fresh water) shows two different ways of energy transfer between two hexamers.
分子名称: BILIVERDINE IX ALPHA, C-PHYCOCYANIN, PHYCOCYANOBILIN
著者Satyanarayana, L, Patel, A, Mishra, S, K Ghosh, P, Suresh, C.G.
登録日2007-03-05
公開日2008-05-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of C-Phycocyanin from Phormidium, Lyngbya Spp. (Marine) and Spirulina Sp. (Fresh Water) Shows Two Different Ways of Energy Transfer between Two Hexamers.
To be Published
4HTK
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BU of 4htk by Molmil
Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 2.17 x 10e+12 X-ray photons
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Duke, N.E.C, Finfrock, Y.Z, Stern, E.A, Alkire, R.W, Lazarski, K, Joachimiak, A.
登録日2012-11-01
公開日2013-05-15
最終更新日2013-08-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Mitigation of X-ray damage in macromolecular crystallography by submicrometre line focusing.
Acta Crystallogr.,Sect.D, 69, 2013
6F0F
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BU of 6f0f by Molmil
Crystal structure ASF1-ip2_s
分子名称: Histone chaperone ASF1A, ip2_s
著者Gaubert, A, Guichard, B, Murciano, B, Le Du, M.H, Ochsenbein, F, Guerois, R, Andreani, J.
登録日2017-11-20
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design on a Rational Basis of High-Affinity Peptides Inhibiting the Histone Chaperone ASF1.
Cell Chem Biol, 26, 2019
6P52
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BU of 6p52 by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae with a bound phosphate at the active site
分子名称: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
著者Singh, A, Davies, C.
登録日2019-05-29
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
1IE4
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BU of 1ie4 by Molmil
RAT TRANSTHYRETIN COMPLEX WITH THYROXINE (T4)
分子名称: 3,5,3',5'-TETRAIODO-L-THYRONINE, TRANSTHYRETIN
著者Wojtczak, A.
登録日2001-04-06
公開日2002-04-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of rat transthyretin (rTTR) complex with thyroxine at 2.5 A resolution: first non-biased insight into thyroxine binding reveals different hormone orientation in two binding sites.
Acta Crystallogr.,Sect.D, 57, 2001
6F0G
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BU of 6f0g by Molmil
Crystal structure ASF1-ip3
分子名称: Histone chaperone ASF1A, SULFATE ION, ip3
著者Gaubert, A, Guichard, B, Richet, N, Le Du, M.H, Andreani, J, Guerois, R, Ochsenbein, F.
登録日2017-11-20
公開日2019-06-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design on a Rational Basis of High-Affinity Peptides Inhibiting the Histone Chaperone ASF1.
Cell Chem Biol, 26, 2019

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