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7N0V
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BU of 7n0v by Molmil
Complex of recombinant Bet v 1 with Fab fragment of REGN5715
分子名称: Major pollen allergen Bet v 1-A, REGN5715 Fab heavy chain, REGN5715 Fab light chain
著者Franklin, M.C, Romero Hernandez, A.
登録日2021-05-26
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.71 Å)
主引用文献Targeting immunodominant Bet v 1 epitopes with monoclonal antibodies prevents the birch allergic response.
J.Allergy Clin.Immunol., 149, 2022
6XPX
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BU of 6xpx by Molmil
Human antibody S1V2-51 in complex with the influenza hemagglutinin head domain of A/Aichi/2/1968 (X-31)(H3N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, GLYCEROL, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2020-07-09
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XPY
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BU of 6xpy by Molmil
Human antibody S1V2-58 in complex with the influenza hemagglutinin head domain of A/Texas/50/2012(H3N2)
分子名称: Fab heavy chain, Fab light chain, Hemagglutinin, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2020-07-09
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.603 Å)
主引用文献A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
7MYH
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BU of 7myh by Molmil
Ubiquitin variant UbV.k.2 in complex with Ube2k
分子名称: GLYCEROL, Ubiquitin variant UbV.k.2, Ubiquitin-conjugating enzyme E2 K
著者Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S.
登録日2021-05-21
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k.
Acs Chem.Biol., 16, 2021
4YS2
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BU of 4ys2 by Molmil
RCK domain with CDA
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Na+/H+ antiporter-like protein
著者Chin, K.H, Chou, S.H.
登録日2015-03-16
公開日2016-04-27
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献RCK domain with CDA
To Be Published
6XKD
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BU of 6xkd by Molmil
Structure of ligand-bound mouse cGAMP hydrolase ENPP1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Fernandez, D, Li, L.
登録日2020-06-26
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP.
Cell Chem Biol, 27, 2020
4YTW
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BU of 4ytw by Molmil
Crystal structure of Ups1-Mdm35 complex
分子名称: Mitochondrial distribution and morphology protein 35, Protein UPS1, mitochondrial
著者Watanabe, Y, Tamura, Y, Kawano, S, Endo, T.
登録日2015-03-18
公開日2015-08-12
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and mechanistic insights into phospholipid transfer by Ups1-Mdm35 in mitochondria.
Nat Commun, 6, 2015
1A47
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BU of 1a47 by Molmil
CGTASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES EM1 IN COMPLEX WITH A MALTOHEXAOSE INHIBITOR
分子名称: 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ...
著者Uitdehaag, J.C.M, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W.
登録日1998-02-11
公開日1998-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Engineering of cyclodextrin product specificity and pH optima of the thermostable cyclodextrin glycosyltransferase from Thermoanaerobacterium thermosulfurigenes EM1.
J.Biol.Chem., 273, 1998
4YTC
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BU of 4ytc by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
分子名称: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.
登録日2015-03-17
公開日2015-08-12
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTH
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BU of 4yth by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2
著者Ledeboer, M.W, Zuccola, H.J.
登録日2015-03-17
公開日2015-08-12
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTO
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BU of 4yto by Molmil
Structure of coiled-coil domain of SYCP1
分子名称: GLYCEROL, Synaptonemal complex protein 1
著者park, H.H.
登録日2015-03-18
公開日2016-03-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of coiled-coil domain of SYCP1
To Be Published
1AJ5
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BU of 1aj5 by Molmil
CALPAIN DOMAIN VI APO
分子名称: CALPAIN
著者Cygler, M, Grochulski, P, Blanchard, H.
登録日1997-05-15
公開日1998-05-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes.
Nat.Struct.Biol., 4, 1997
6WPO
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BU of 6wpo by Molmil
NMR Structure of HSP-4 antimicrobial peptide in presence of DPC-d38 micelles
分子名称: Hylaseptin-4
著者Verly, R.M, Nunes, L.O.
登録日2020-04-27
公開日2021-03-17
実験手法SOLUTION NMR
主引用文献High-resolution structural profile of hylaseptin-4: Aggregation, membrane topology and pH dependence of overall membrane binding process.
Biochim Biophys Acta Biomembr, 1863, 2021
4YZS
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BU of 4yzs by Molmil
Crystal structures reveal transient PERK luminal domain tetramerization in ER stress signaling
分子名称: Eukaryotic translation initiation factor 2-alpha kinase 3, TUNGSTEN ION
著者Carrara, M, Prischi, F, Ali, M.M.U.
登録日2015-03-25
公開日2015-05-13
最終更新日2017-09-13
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Crystal structures reveal transient PERK luminal domain tetramerization in endoplasmic reticulum stress signaling.
Embo J., 34, 2015
4YZO
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BU of 4yzo by Molmil
Crystal Structure Analysis of Thiolase-like protein, ST0096 from Sulfolobus Tokodaii
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Padmanabhan, B, Manjula, R, Yokoyama, S, Bessho, Y.
登録日2015-03-25
公開日2016-03-30
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure Analysis of Thiolase-like protein, ST0096 from Sulfolobus Tokodaii
To Be Published
6WE7
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BU of 6we7 by Molmil
HIV Integrase core domain in complex with inhibitor 3-methyl-2-{5-methyl-2-[2-(thiophen-2-yl)ethynyl]-1- benzofuran-3-yl}butanoic acid
分子名称: (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-04-01
公開日2021-04-07
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献HIV Integrase core domain in complex with inhibitor
To Be Published
7N4N
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BU of 7n4n by Molmil
BACE-2 in complex with ligand 36
分子名称: 1,2-ETHANEDIOL, Beta-secretase 2, N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide, ...
著者Shaffer, P.L.
登録日2021-06-04
公開日2021-10-06
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate.
J.Med.Chem., 64, 2021
4Z1H
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BU of 4z1h by Molmil
Crystal structure of human Trap1 with SMTIN-P01
分子名称: 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9H-purin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Lee, C, Park, H.K, Ryu, J.H, Kang, B.H.
登録日2015-03-27
公開日2015-04-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
4YZI
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BU of 4yzi by Molmil
Crystal structure of blue-shifted channelrhodopsin mutant (T198G/G202A)
分子名称: OLEIC ACID, RETINAL, Sensory opsin A,Archaeal-type opsin 2, ...
著者Kato, H.E, Kamiya, M, Ishitani, R, Hayashi, S, Nureki, O.
登録日2015-03-25
公開日2015-05-27
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Atomistic design of microbial opsin-based blue-shifted optogenetics tools.
Nat Commun, 6, 2015
8S9B
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BU of 8s9b by Molmil
Cryo-EM structure of Nav1.7 with LCM
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fan, X, Huang, J, Yan, N.
登録日2023-03-27
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
4Z05
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BU of 4z05 by Molmil
C. bescii Family 3 pectate lyase mutant E84A
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Alahuhta, P.M, Lunin, V.V.
登録日2015-03-25
公開日2015-12-23
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The catalytic mechanism and unique low pH optimum of Caldicellulosiruptor bescii family 3 pectate lyase.
Acta Crystallogr.,Sect.D, 71, 2015
4Z3U
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BU of 4z3u by Molmil
PRV nuclear egress complex
分子名称: CHLORIDE ION, SODIUM ION, UL31, ...
著者Bigalke, J.M, Heldwein, E.E.
登録日2015-03-31
公開日2015-11-11
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.706 Å)
主引用文献Structural basis of membrane budding by the nuclear egress complex of herpesviruses.
Embo J., 34, 2015
8S9C
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BU of 8s9c by Molmil
Cryo-EM structure of Nav1.7 with CBZ
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fan, X, Huang, J, Yan, N.
登録日2023-03-27
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
6WUX
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BU of 6wux by Molmil
NMR soltution structure of homotarsinin homodimer - Htr
分子名称: Homotarsinin
著者Verly, R.M.
登録日2020-05-05
公開日2021-05-05
実験手法SOLUTION NMR
主引用文献Structure and membrane interactions of the homodimeric antibiotic peptide homotarsinin.
Sci Rep, 7, 2017
4ZAM
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BU of 4zam by Molmil
Crystal structure of SHV-1 beta-lactamase bound to avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Krishnan, N, van den Akker, F.
登録日2015-04-13
公開日2016-01-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Inhibition of Klebsiella beta-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study.
Plos One, 10, 2015

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件を2024-08-21に公開中

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