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5WI1
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BU of 5wi1 by Molmil
Crystal structure of human NAMPT with fragment 5: (3E)-3-[(phenylamino)methylidene]oxan-2-one
Descriptor: (3E)-3-[(phenylamino)methylidene]oxan-2-one, Nicotinamide phosphoribosyltransferase, SULFATE ION
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-07-18
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-based discovery of a potent NAMPT inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
5X5Y
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BU of 5x5y by Molmil
A membrane protein complex
Descriptor: Probable ATP-binding component of ABC transporter, Uncharacterized protein
Authors:Luo, Q, Yang, X, Huang, Y.
Deposit date:2017-02-18
Release date:2017-04-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.465 Å)
Cite:Structural basis for lipopolysaccharide extraction by ABC transporter LptB2FG
Nat. Struct. Mol. Biol., 24, 2017
2FIE
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BU of 2fie by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors
Descriptor: 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1
Authors:Abad-Zapatero, C.
Deposit date:2005-12-29
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2FIX
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BU of 2fix by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors
Descriptor: Fructose-1,6-bisphosphatase 1, N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-30
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2H96
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BU of 2h96 by Molmil
Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors
Descriptor: 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE, C-jun-amino-terminal kinase-interacting protein 1, GLYCEROL, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-06-09
Release date:2006-07-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
3P9U
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BU of 3p9u by Molmil
Crystal structure of TetX2 from Bacteroides thetaiotaomicron with substrate analogue
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein
Authors:Walkiewicz, K, Davlieva, M, Sun, C, Lau, K, Shamoo, Y.
Deposit date:2010-10-18
Release date:2011-04-27
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure of Bacteroides thetaiotaomicron TetX2: a tetracycline degrading monooxygenase at 2.8 A resolution.
Proteins, 79, 2011
7EJV
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BU of 7ejv by Molmil
The co-crystal structure of DYRK2 with YK-2-69
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
Authors:Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P.
Deposit date:2021-04-02
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer.
Nat Commun, 13, 2022
2JHB
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BU of 2jhb by Molmil
CORE BINDING FACTOR BETA
Descriptor: PROTEIN (CORE BINDING FACTOR BETA)
Authors:Huang, X, Peng, J, Speck, N.A, Bushweller, J.H.
Deposit date:1999-03-17
Release date:1999-07-05
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of core binding factor beta and map of the CBF alpha binding site.
Nat.Struct.Biol., 6, 1999
3WXT
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BU of 3wxt by Molmil
Crystal structure of hen egg-white lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Sugahara, M, Nango, E, Suzuki, M.
Deposit date:2014-08-08
Release date:2014-11-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Grease matrix as a versatile carrier of proteins for serial crystallography
Nat.Methods, 12, 2015
3WXU
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BU of 3wxu by Molmil
Crystal structure of hen egg-white lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Sugahara, M, Nango, E, Suzuki, M.
Deposit date:2014-08-08
Release date:2014-11-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Grease matrix as a versatile carrier of proteins for serial crystallography
Nat.Methods, 12, 2015
4W4Q
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BU of 4w4q by Molmil
Glucose isomerase structure determined by serial femtosecond crystallography at SACLA
Descriptor: CALCIUM ION, Xylose isomerase
Authors:Nango, E, Tanaka, T, Sugahara, M, Suzuki, M, Iwata, S.
Deposit date:2014-08-15
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Grease matrix as a versatile carrier of proteins for serial crystallography
Nat.Methods, 12, 2015
4KTD
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BU of 4ktd by Molmil
Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE136, from non-human primate
Descriptor: GE136 Heavy Chain Fab, GE136 Light Chain Fab, GLYCEROL, ...
Authors:Poulsen, C, Tran, K, Standfield, R, Wyatt, R.T.
Deposit date:2013-05-20
Release date:2014-02-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
4KTE
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BU of 4kte by Molmil
Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate
Descriptor: GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ...
Authors:Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T.
Deposit date:2013-05-20
Release date:2014-02-05
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
6U9U
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BU of 6u9u by Molmil
Structure of GM9_TH8seq732127 FAB
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, GM9_TH8seq732127 FAB heavy chain, ...
Authors:Singh, S, Liban, T.J, Pancera, M.
Deposit date:2019-09-09
Release date:2019-11-06
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
6U3Z
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BU of 6u3z by Molmil
Structure of VD20_5A4 Fab
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Dionne, G, Shapiro, L.
Deposit date:2019-08-22
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99002314 Å)
Cite:Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
8GNG
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BU of 8gng by Molmil
Crystal structure of human adenosine A2A receptor in complex with istradefylline.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a, ...
Authors:Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M.
Deposit date:2022-08-23
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist.
Mol.Pharmacol., 103, 2023
8GNE
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BU of 8gne by Molmil
Crystal structure of human adenosine A2A receptor in complex with an insurmountable inverse agonist, KW-6356.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M.
Deposit date:2022-08-23
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist.
Mol.Pharmacol., 103, 2023
4YZF
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BU of 4yzf by Molmil
Crystal structure of the anion exchanger domain of human erythrocyte Band 3
Descriptor: 2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}, Band 3 anion transport protein, FAB fragment of Immunoglobulin (IgG) molecule
Authors:Alguel, Y, Arakawa, T, Yugiri, T.K, Iwanari, H, Hatae, H, Iwata, M, Abe, Y, Hino, T, Suno, C.I, Kuma, H, Kang, D, Murata, T, Hamakubo, T, Cameron, A.D, Kobayashi, T, Hamasaki, N, Iwata, S.
Deposit date:2015-03-25
Release date:2015-11-04
Last modified:2015-11-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of the anion exchanger domain of human erythrocyte band 3.
Science, 350, 2015
3WXQ
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BU of 3wxq by Molmil
Serial femtosecond X-ray structure of human fatty acid-binding protein type-3 (FABP3) in complex with stearic acid (C18:0) determined using X-ray free-electron laser at SACLA
Descriptor: Fatty acid-binding protein, heart, STEARIC ACID
Authors:Mizohata, E, Suzuki, M, Kakinouchi, K, Sugiyama, S, Murata, M, Sugahara, M, Nango, E, Tanaka, T, Tanaka, R, Tono, K, Song, C, Hatsui, T, Joti, Y, Yabashi, M, Iwata, S.
Deposit date:2014-08-04
Release date:2014-11-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Grease matrix as a versatile carrier of proteins for serial crystallography
Nat. Methods, 12, 2015
3WUM
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BU of 3wum by Molmil
Crystal structure of hen egg-white lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Sugahara, M, Nango, E, Suzuki, M.
Deposit date:2014-04-28
Release date:2014-11-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Grease matrix as a versatile carrier of proteins for serial crystallography
Nat.Methods, 12, 2015
3WUL
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BU of 3wul by Molmil
Crystal structure of hen egg-white lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Sugahara, M, Nango, E, Suzuki, M.
Deposit date:2014-04-28
Release date:2014-11-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Grease matrix as a versatile carrier of proteins for serial crystallography
Nat.Methods, 12, 2015
3WXS
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BU of 3wxs by Molmil
Thaumatin structure determined by SPring-8 Angstrom Compact free electron Laser (SACLA)
Descriptor: L(+)-TARTARIC ACID, thaumatin I
Authors:Masuda, T, Nango, E, Sugahara, M, Mizohata, E, Tanaka, T, Tanaka, R, Suzuki, M, Mikami, B, Iwata, S.
Deposit date:2014-08-07
Release date:2014-11-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Grease matrix as a versatile carrier of proteins for serial crystallography
Nat. Methods, 12, 2015
5XJM
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BU of 5xjm by Molmil
Complex structure of angiotensin II type 2 receptor with Fab
Descriptor: FabH, FabL, Sar1, ...
Authors:Asada, H, Horita, S, Shimamura, T, Iwata, S.
Deposit date:2017-05-02
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the human angiotensin II type 2 receptor bound to an angiotensin II analog
Nat. Struct. Mol. Biol., 25, 2018
5XLI
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BU of 5xli by Molmil
Structure of anti-Angiotensin II type2 receptor antibody (D5711-4A03)
Descriptor: FabH, FabL
Authors:Asada, H, Horita, S, Iwata, S, Hirata, K.
Deposit date:2017-05-10
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Crystal structure of the human angiotensin II type 2 receptor bound to an angiotensin II analog.
Nat. Struct. Mol. Biol., 25, 2018
6JOD
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BU of 6jod by Molmil
Angiotensin II type 2 receptor with ligand
Descriptor: Angiotensin II, Heavy chain of 4A03Fab, Light chain of 4A03Fab, ...
Authors:Asada, H, Iwata, S, Hirata, K, Shimamura, T.
Deposit date:2019-03-20
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Crystal Structure of Angiotensin II Type 2 Receptor with Endogenous Peptide Hormone.
Structure, 28, 2020

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数据于2024-07-24公开中

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