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8BOY
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BU of 8boy by Molmil
X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 4.0
分子名称: 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], Lysozyme C, NITRATE ION, ...
著者Ferraro, G, Tito, G, Merlino, A.
登録日2022-11-15
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
8BFU
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BU of 8bfu by Molmil
Crystal structure of the apo p110alpha catalytic subunit from homo sapiens
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L.
登録日2022-10-26
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
8BVO
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BU of 8bvo by Molmil
Titin I110-I111 FnIII tandem from the MIR region (I/A5-I/A6)
分子名称: Titin
著者Mayans, O, Fleming, J.R, Williams, R.
登録日2022-12-05
公開日2023-02-15
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Immunological and Structural Characterization of Titin Main Immunogenic Region; I110 Domain Is the Target of Titin Antibodies in Myasthenia Gravis.
Biomedicines, 11, 2023
8BXR
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BU of 8bxr by Molmil
Titin FnIII-domain I109-I111 (I/A4-A/A6) from the MIR region
分子名称: 1,2-ETHANEDIOL, Titin
著者Mayans, O, Fleming, J.R, Williams, R.
登録日2022-12-09
公開日2023-02-15
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Immunological and Structural Characterization of Titin Main Immunogenic Region; I110 Domain Is the Target of Titin Antibodies in Myasthenia Gravis.
Biomedicines, 11, 2023
8DTK
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BU of 8dtk by Molmil
Structure of RBD directed antibody DH1047 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interace
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Fab Heavy Chain, DH1047 Fab Light Chain, ...
著者May, A.J, Manne, K, Acharya, P.
登録日2022-07-25
公開日2023-08-02
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Broadly neutralizing antibody induction by non-stabilized SARS-CoV-2 Spike mRNA vaccination in nonhuman primates.
Biorxiv, 2023
8BW6
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BU of 8bw6 by Molmil
Titin FnIII-domain I110 (I/A6) from the MIR region
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Mayans, O, Fleming, J.R.
登録日2022-12-06
公開日2023-02-15
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Immunological and Structural Characterization of Titin Main Immunogenic Region; I110 Domain Is the Target of Titin Antibodies in Myasthenia Gravis.
Biomedicines, 11, 2023
8BCT
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BU of 8bct by Molmil
X-ray crystal structure of a de novo selected helix-loop-helix heterodimer in a syn arrangement, 26alpha/26beta
分子名称: 26alpha, 26beta, ACETATE ION, ...
著者Naudin, E.A, Mylemans, B, Smith, A.J, Savery, N.J, Woolfson, D.N.
登録日2022-10-17
公開日2023-06-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Selection of Heterodimerizing Helical Hairpins for Synthetic Biology.
Acs Synth Biol, 12, 2023
8BDB
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BU of 8bdb by Molmil
Ribulose-1,5-bisphosphate carboxylase/oxygenase from Griffithsia monilis
分子名称: 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, BICARBONATE ION, ...
著者Andersson, I, Gunn, L.H.
登録日2022-10-19
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Grafting Rhodobacter sphaeroides with red algae Rubisco to accelerate catalysis and plant growth.
Nat.Plants, 9, 2023
5WPZ
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BU of 5wpz by Molmil
Crystal structure of MNDA PYD with MBP tag
分子名称: MBP-hMNDA-PYD, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Jin, T.C, Xiao, T.S.
登録日2016-11-22
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of an expression system to enhance MBP-mediated crystallization
Sci Rep, 7, 2017
8E1E
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BU of 8e1e by Molmil
Scaffolding protein functional sites using deep learning
分子名称: SG122_C3
著者Bera, A.K, Gerben, S, Baker, D.
登録日2022-08-10
公開日2023-08-16
実験手法X-RAY DIFFRACTION (4.27 Å)
主引用文献Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins.
Biochemistry, 62, 2023
7RPV
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BU of 7rpv by Molmil
Crystal structure of affinity-enhancing and catalytically inactive ACE2 in complex with SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
著者Chen, Y, Tolbert, D.W, Pazgier, M.
登録日2021-08-04
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.54 Å)
主引用文献Engineered ACE2-Fc counters murine lethal SARS-CoV-2 infection through direct neutralization and Fc-effector activities.
Biorxiv, 2021
8E1C
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BU of 8e1c by Molmil
Crystal Structure of Nanobody VHH222 Specific for PA14 Cif
分子名称: Nanobody VHH222
著者Simard, A.R, Taher, N.M, Stuut, S.E, Madden, D.R.
登録日2022-08-10
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Nanobody VHH222 Specific for PA14 Cif
To Be Published
8E1B
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BU of 8e1b by Molmil
Crystal Structure of Nanobody VHH108 Specific for PA14 Cif
分子名称: Nanobody VHH108
著者Simard, A.R, Taher, N.M, Mishra, A.K, Madden, D.R.
登録日2022-08-10
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of Nanobody VHH108 Specific for PA14 Cif
To Be Published
6ZG9
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BU of 6zg9 by Molmil
Structure of M1-StaR-T4L in complex with GSK1034702 at 2.5A
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one, Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, ...
著者Rucktooa, P, Cooke, R.M.
登録日2020-06-18
公開日2021-10-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
6ZFZ
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BU of 6zfz by Molmil
Structure of M1-StaR-T4L in complex with 77-LH-28-1 at 2.17A
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Rucktooa, P, Cooke, R.M.
登録日2020-06-18
公開日2021-10-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
7PPH
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BU of 7pph by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10
分子名称: GLYCEROL, N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Hillig, R.C.
登録日2021-09-13
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
6ZG4
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BU of 6zg4 by Molmil
Structure of M1-StaR-T4L in complex with HTL0009936 at 2.35A
分子名称: Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, OLEIC ACID, PHOSPHATE ION, ...
著者Rucktooa, P, Cooke, R.M.
登録日2020-06-18
公開日2021-10-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
7PPI
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BU of 7ppi by Molmil
Crystal STRUCTURE OF NAMPT IN COMPLEX WITH Compound 11
分子名称: CHLORIDE ION, GLYCEROL, N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, ...
著者Hillig, R.C.
登録日2021-09-13
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7PPE
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BU of 7ppe by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 1
分子名称: GLYCEROL, N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Hillig, R.C.
登録日2021-09-13
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7PPF
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BU of 7ppf by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 8
分子名称: 1,2-ETHANEDIOL, N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Hillig, R.C.
登録日2021-09-13
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
8BRW
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BU of 8brw by Molmil
Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C
分子名称: Methionine--tRNA ligase, ZINC ION
著者Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T.
登録日2022-11-24
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments.
Protein Sci., 32, 2023
7PPG
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BU of 7ppg by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 9
分子名称: 1,2-ETHANEDIOL, N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Hillig, R.C.
登録日2021-09-13
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7QIS
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BU of 7qis by Molmil
CRYSTAL STRUCTURE OF THE P1 difluoroethylglycine (DfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
分子名称: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
著者Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B.
登録日2021-12-15
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
7QIT
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BU of 7qit by Molmil
CRYSTAL STRUCTURE OF THE P1 trifluoroethylglycine (TfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
分子名称: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
著者Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B.
登録日2021-12-15
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
6ZDX
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BU of 6zdx by Molmil
RIFIN variable region bound to LILRB1 ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leukocyte immunoglobulin-like receptor subfamily B member 1, ...
著者Harrison, T.E, Higgins, M.K.
登録日2020-06-15
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for RIFIN-mediated activation of LILRB1 in malaria.
Nature, 587, 2020

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件を2024-07-17に公開中

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