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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
6OUB
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BU of 6oub by Molmil
Carbonic Anhydrase II complexed with benzene sulfonamide MB11-694B
分子名称: 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Kota, A, McKenna, R.
登録日2019-05-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.418 Å)
主引用文献Carbonic Anhydrase II complexed with ureido benzene sulfonamide MB11-694B
To Be Published
6OUE
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BU of 6oue by Molmil
Carbonic Anhydrase II complexed with benzene sulfonamide MB11-707A
分子名称: 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Kota, A, McKenna, R.
登録日2019-05-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.415 Å)
主引用文献Carbonic Anhydrase II complexed with ureido benzene sulfonamide MB11-707A
To Be Published
2VE7
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BU of 2ve7 by Molmil
Crystal structure of a bonsai version of the human Ndc80 complex
分子名称: GLYCEROL, KINETOCHORE PROTEIN HEC1, KINETOCHORE PROTEIN SPC25, ...
著者Ciferri, C, Pasqualato, S, Dos Reis, G, Screpanti, E, Maiolica, A, Polka, J, De Luca, J.G, De Wulf, P, Salek, M, Rappsilber, J, Moores, C.A, Salmon, E.D, Musacchio, A.
登録日2007-10-17
公開日2008-05-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Implications for Kinetochore-Microtubule Attachment from the Structure of an Engineered Ndc80 Complex
Cell(Cambridge,Mass.), 133, 2008
7RDF
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BU of 7rdf by Molmil
Crystal structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase Y249F co-crystallized in the presence of D-arginine
分子名称: 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, FAD-dependent catabolic D-arginine dehydrogenase DauA, ...
著者Reis, R.A.G, Iyer, A, Agniswamy, A, Weber, I.T, Gadda, G.
登録日2021-07-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Discovery of a new flavin N5-adduct in a tyrosine to phenylalanine variant of d-Arginine dehydrogenase.
Arch.Biochem.Biophys., 715, 2021
2VLL
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BU of 2vll by Molmil
The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain
分子名称: BETA-2-MICROGLOBULIN, FLU MATRIX PEPTIDE, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Ishizuka, J, Stewart-Jones, G, Van Der Merwe, A, Bell, J, Mcmichael, A, Jones, Y.
登録日2008-01-15
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Structural Dynamics and Energetics of an Immunodominant T-Cell Receptor are Programmed by its Vbeta Domain
Immunity, 28, 2008
8ATE
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BU of 8ate by Molmil
Galacturonic acid oxidase from Citrus sinensis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Boverio, A, Savino, S, Fraaije, M.W, Loncar, N.
登録日2022-08-23
公開日2023-09-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Biochemical and Structural Characterization of a Uronic Acid Oxidase from Citrus sinensis
Chemcatchem, 2023
8AU3
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BU of 8au3 by Molmil
c-MET Y1234E,Y1235E mutant in complex with Tepotinib
分子名称: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, DI(HYDROXYETHYL)ETHER, Hepatocyte growth factor receptor, ...
著者Graedler, U, Lammens, A.
登録日2022-08-25
公開日2023-09-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
1GNC
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BU of 1gnc by Molmil
STRUCTURE AND DYNAMICS OF THE HUMAN GRANULOCYTE COLONY-STIMULATING FACTOR DETERMINED BY NMR SPECTROSCOPY. LOOP MOBILITY IN A FOUR-HELIX-BUNDLE PROTEIN
分子名称: GRANULOCYTE COLONY-STIMULATING FACTOR
著者Zink, T.W, Ross, A, Rudolph, R, Holak, T.A.
登録日1994-03-08
公開日1994-07-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Structure and dynamics of the human granulocyte colony-stimulating factor determined by NMR spectroscopy. Loop mobility in a four-helix-bundle protein.
Biochemistry, 33, 1994
6OCR
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BU of 6ocr by Molmil
Crystal structure of human KCTD16 T1 domain
分子名称: BTB/POZ domain-containing protein KCTD16
著者Zuo, H, Glaaser, I, Zhao, Y, Kurinov, I, Mosyak, L, Wang, H, Liu, J, Park, J, Frangaj, A, Sturchler, E, Zhou, M, McDonald, P, Geng, Y, Slesinger, P.A, Fan, Q.R.
登録日2019-03-25
公開日2019-04-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural basis for auxiliary subunit KCTD16 regulation of the GABABreceptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
8AW1
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BU of 8aw1 by Molmil
c-MET Y1235D mutant in complex with Tepotinib
分子名称: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, Hepatocyte growth factor receptor
著者Graedler, U, Lammens, A.
登録日2022-08-29
公開日2023-09-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
8AU5
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BU of 8au5 by Molmil
c-MET F1200I mutant in complex with Tepotinib
分子名称: 1,2-ETHANEDIOL, 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, CHLORIDE ION, ...
著者Graedler, U, Lammens, A.
登録日2022-08-25
公開日2023-09-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
2VLJ
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BU of 2vlj by Molmil
The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain
分子名称: BETA-2-MICROGLOBULIN, FLU MATRIX PEPTIDE, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Ishizuka, J, Stewart-Jones, G, Van Der Merwe, A, Bell, J, Mcmichael, A, Jones, Y.
登録日2008-01-15
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Structural Dynamics and Energetics of an Immunodominant T-Cell Receptor are Programmed by its Vbeta Domain
Immunity, 28, 2008
2VMC
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BU of 2vmc by Molmil
Structure of the complex of discoidin II from Dictyostelium discoideum with N-acetyl-galactosamine
分子名称: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ...
著者Saboia, K, Satre, M, Imberty, A, Varrot, A.
登録日2008-01-25
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure Determination of Discoidin II from Dictyostelium Discoideum and Carbohydrate Binding Properties of the Lectin Domain.
Proteins, 73, 2008
4YD4
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BU of 4yd4 by Molmil
Endothiapepsin in complex with fragment 227
分子名称: 1,2-ETHANEDIOL, 4-(bromomethyl)benzoic acid, BROMIDE ION, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
1MQ9
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BU of 1mq9 by Molmil
Crystal structure of high affinity alphaL I domain with ligand mimetic crystal contact
分子名称: Integrin alpha-L, MANGANESE (II) ION
著者Shimaoka, M, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, McCormack, A, Zhang, R, Joachimiak, A, Takagi, J, Wang, J.-H, Springer, T.A.
登録日2002-09-15
公開日2003-01-14
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation
Cell(Cambridge,Mass.), 112, 2003
6OMC
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BU of 6omc by Molmil
capsid of T5 virion
分子名称: Major capsid protein
著者Huet, A, Duda, R.L, Boulanger, P, Conway, J.F.
登録日2019-04-18
公開日2019-10-02
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Capsid expansion of bacteriophage T5 revealed by high resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 116, 2019
6VND
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BU of 6vnd by Molmil
Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636
分子名称: 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Padyana, A, Jin, L.
登録日2020-01-29
公開日2020-11-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Mol.Cancer Ther., 19, 2020
4PGC
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BU of 4pgc by Molmil
MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGN(3,5-diiodotyrosine)PAL
分子名称: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
著者Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J.
登録日2014-05-01
公開日2015-01-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The first step of peptide selection in antigen presentation by MHC class I molecules.
Proc.Natl.Acad.Sci.USA, 112, 2015
2V2F
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BU of 2v2f by Molmil
Crystal structure of PBP1a from drug-resistant strain 5204 from Streptococcus pneumoniae
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BARIUM ION, PENICILLIN BINDING PROTEIN 1A
著者Job, V, Carapito, R, Vernet, T, Dideberg, O, Dessen, A, Zapun, A.
登録日2007-06-05
公開日2007-12-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Common Alterations in Pbp1A from Resistant Streptococcus Pneumoniae Decrease its Reactivity Toward {Beta}-Lactams: Structural Insights.
J.Biol.Chem., 283, 2008
6O50
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BU of 6o50 by Molmil
Binary complex of native hAChE with BW284c51
分子名称: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
1MDV
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BU of 1mdv by Molmil
KEY ROLE OF PHENYLALANINE 20 IN CYTOCHROME C3: STRUCTURE, STABILITY AND FUNCTION STUDIES
分子名称: CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE
著者Dolla, A, Arnoux, P, Protasevich, I, Lobachov, V, Brugna, M, Guidici-Orticoni, M.T, Haser, R, Czjzek, M, Makarov, A, Brushi, M.
登録日1998-09-08
公開日1999-05-04
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Key role of phenylalanine 20 in cytochrome c3: structure, stability, and function studies.
Biochemistry, 38, 1999
3CU9
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BU of 3cu9 by Molmil
High resolution crystal structure of 1,5-alpha-L-arabinanase from Geobacillus Stearothermophilus
分子名称: CALCIUM ION, GLYCEROL, Intracellular arabinanase
著者Alhassid, A, Ben David, A, Shoham, Y, Shoham, G.
登録日2008-04-16
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Crystal structure of an inverting GH 43 1,5-alpha-L-arabinanase from Geobacillus stearothermophilus complexed with its substrate
Biochem.J., 422, 2009
1MOS
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BU of 1mos by Molmil
ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEXED WITH 2-AMINO-2-DEOXYGLUCITOL 6-PHOSPHATE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, GLUCOSAMINE 6-PHOSPHATE SYNTHASE, ...
著者Teplyakov, A, Obmolova, G, Badet-Denisot, M.A, Badet, B.
登録日1998-07-15
公開日1999-07-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The mechanism of sugar phosphate isomerization by glucosamine 6-phosphate synthase.
Protein Sci., 8, 1999
6FOF
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BU of 6fof by Molmil
Crystal structure of a crystallized variant of h-Gal3: Gal-3[NTS/VII-IX]
分子名称: Galectin-3,Galectin-3, SULFATE ION, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Romero, A, Flores-Ibarra, A, Medrano, F.J.
登録日2018-02-07
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallization of a human galectin-3 variant with two ordered segments in the shortened N-terminal tail.
Sci Rep, 8, 2018

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