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8TUZ
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BU of 8tuz by Molmil
Fab 857-2 in complex with OspA
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Heavy chain of human monoclonal antibody 857-2, ...
著者Rudolph, M.J, Mantis, N.
登録日2023-08-17
公開日2024-08-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.186 Å)
主引用文献Fab 857-2 in complex with OspA
To Be Published
8K09
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BU of 8k09 by Molmil
Pq3-O-UGT2 with 20(S)-Ginsenoside F2
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-17-[(2~{S})-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol, Glycosyltransferase
著者Mei, K.R, Ji, Q.S, Liu, Y.R.
登録日2023-07-07
公開日2025-01-29
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Structural Insights into the Substrate Recognition of Ginsenoside Glycosyltransferase Pq3-O-UGT2.
Adv Sci, 12, 2025
6OHR
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BU of 6ohr by Molmil
Structure of compound 5 bound human Phospholipase D1 catalytic domain
分子名称: 4-fluoro-N-{(2S)-1-[(5R)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide, Phospholipase D1, chimeric constuct
著者Metrick, C.M, Chodaparambil, J.V.
登録日2019-04-06
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
9GQR
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BU of 9gqr by Molmil
Structure of a consensus-designed decarboxylase (PSC1)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, decarboxylase
著者Gavira, J.A, Ramos, J.L, Garcia-Franco, A, de la Torre, J.
登録日2024-09-09
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Sustainable synthesis of styrene exploiting a consensus-designed decarboxylase. Purification and crystal structure of PSC1
Mbio, 2025
4DZM
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BU of 4dzm by Molmil
A de novo designed Coiled Coil CC-Di
分子名称: COILED-COIL PEPTIDE CC-DI
著者Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N.
登録日2012-03-01
公開日2012-08-29
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献A basis set of de novo coiled-coil Peptide oligomers for rational protein design and synthetic biology.
ACS Synth Biol, 1, 2012
8DYC
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BU of 8dyc by Molmil
Human CYP3A4 bound to a substrate
分子名称: 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Cytochrome P450 3A4, GLYCEROL, ...
著者Sevrioukova, I.F.
登録日2022-08-04
公開日2022-10-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site.
Int J Mol Sci, 23, 2022
5YHA
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BU of 5yha by Molmil
Crystal structure of Pd(allyl)/Wild Type Polyhedra
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PALLADIUM ION, ...
著者Abe, S, Atsumi, K, Yamashita, K, Hirata, K, Mori, H, Ueno, T.
登録日2017-09-27
公開日2017-11-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure of in cell protein crystals containing organometallic complexes.
Phys Chem Chem Phys, 20, 2018
6OSU
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BU of 6osu by Molmil
Crystal Structure of the D-alanyl-D-alanine carboxypeptidase DacD from Francisella tularensis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase (Penicillin binding protein) family protein
著者Kim, Y, Stogios, P, Skarina, T, Di, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-02
公開日2019-05-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal Structure of the D-alanyl-D-alanine carboxypeptidase DacD from Francisella tularensis
To Be Published
6O88
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BU of 6o88 by Molmil
Crystal Structure of UDP-dependent glucosyltransferases (UGT) from Stevia rebaudiana in complex with UDP and rebaudioside A
分子名称: (8alpha,9beta,10alpha,13alpha)-13-{[alpha-L-allopyranosyl-(1->2)-[beta-D-mannopyranosyl-(1->3)]-beta-D-allopyranosyl]oxy}kauran-18-oic acid, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
著者Lee, S.G, Jez, J.M.
登録日2019-03-09
公開日2019-06-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Molecular basis for branched steviol glucoside biosynthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OMX
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BU of 6omx by Molmil
Crystal structure of alr5209, a pentapeptide repeat protein from Nostoc Pcc 7120, determined at 1.7 Angstrom resolution
分子名称: Alr5209 protein
著者Kennedy, M.A, Zhang, R.
登録日2019-04-19
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystal structure of Alr1298, a pentapeptide repeat protein from the cyanobacterium Nostoc sp. PCC 7120, determined at 2.1 angstrom resolution.
Proteins, 88, 2020
6RY6
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BU of 6ry6 by Molmil
Crystal structure of Dfg5 from Chaetomium thermophilum in complex with glucosamine
分子名称: 2-amino-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, Mannan endo-1,6-alpha-mannosidase, ...
著者Essen, L.-O, Vogt, M.S.
登録日2019-06-10
公開日2020-08-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls.
Proc.Natl.Acad.Sci.USA, 117, 2020
7Q4Q
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BU of 7q4q by Molmil
Magacizumab Fab fragment in complex with human LRG1 epitope
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LRG1 epitope, Magacizumab heavy chain, ...
著者Gutierrez-Fernandez, J, Luecke, H.
登録日2021-11-01
公開日2022-06-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of human LRG1 recognition by Magacizumab, a humanized monoclonal antibody with therapeutic potential.
Acta Crystallogr D Struct Biol, 78, 2022
6OWH
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BU of 6owh by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-05-09
公開日2020-04-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6RMW
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BU of 6rmw by Molmil
Structure of N-terminal truncated IMP bound Plasmodium falciparum IMP-nucleotidase
分子名称: GLYCEROL, IMP-specific 5'-nucleotidase, putative, ...
著者Carrique, L, Ballut, L, Violot, S, Aghajari, N.
登録日2019-05-07
公開日2020-07-15
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase.
Nat Commun, 11, 2020
5Y9R
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BU of 5y9r by Molmil
Crystal structure of the oligomerization domain of NSP4 from rotavirus strain MF66
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, NICKEL (II) ION, ...
著者Suguna, K, Kumar, S.
登録日2017-08-28
公開日2018-09-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献New tetrameric forms of the rotavirus NSP4 with antiparallel helices
To Be Published
9AV0
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BU of 9av0 by Molmil
Crystal structure of S. aureus GuaB dCBS with inhibitor GNE2011
分子名称: 9-{(1R)-1-[(5P)-5-(4-chloro-1H-imidazol-2-yl)pyridin-3-yl]ethoxy}-1,4-dihydro-2H-pyrano[3,4-c]quinoline, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
著者Harris, S.F, Wu, P.
登録日2024-03-01
公開日2024-11-27
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
6RFY
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BU of 6rfy by Molmil
Crystal structure of Eis2 form Mycobacterium abscessus
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Eis2, SULFATE ION
著者Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
登録日2019-04-16
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
8UUK
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BU of 8uuk by Molmil
Pendrin in apo
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, Lauryl Maltose Neopentyl Glycol, ...
著者Wang, L, Hoang, A, Zhou, M.
登録日2023-11-01
公開日2024-02-07
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
6QH3
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BU of 6qh3 by Molmil
Catalytic domain of the human ubiquitin-conjugating enzyme UBE2S C118M
分子名称: 1,2-ETHANEDIOL, Ubiquitin-conjugating enzyme E2 S
著者Liess, A.K.L, Lorenz, S.
登録日2019-01-15
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Autoinhibition Mechanism of the Ubiquitin-Conjugating Enzyme UBE2S by Autoubiquitination.
Structure, 27, 2019
9AUV
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BU of 9auv by Molmil
Crystal structure of A. baumannii GuaB dCBS with inhibitor GNE9123
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide
著者Harris, S.F, Wu, P.
登録日2024-03-01
公開日2025-01-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
6R16
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BU of 6r16 by Molmil
Crystal structure of the SUN1-KASH4 6:6 complex
分子名称: 1,2-ETHANEDIOL, Nesprin-4, POTASSIUM ION, ...
著者Gurusaran, M, Davies, O.R.
登録日2019-03-13
公開日2020-07-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A molecular mechanism for LINC complex branching by structurally diverse SUN-KASH 6:6 assemblies.
Elife, 10, 2021
4Y88
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BU of 4y88 by Molmil
Crystal structure of the N-terminal domain of CEACAM8
分子名称: 1,3-PROPANDIOL, CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 8, ...
著者Bonsor, D.A, Sundberg, E.J.
登録日2015-02-16
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Diverse oligomeric states of CEACAM IgV domains.
Proc.Natl.Acad.Sci.USA, 112, 2015
6P41
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BU of 6p41 by Molmil
Yeast cytochrome c peroxidase (W191Y:L232E) in complex with iso-1 cytochrome c
分子名称: Cytochrome c iso-1, Cytochrome c peroxidase, mitochondrial, ...
著者Yee, E.F, Crane, B.R.
登録日2019-05-25
公開日2019-10-23
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Tuning Radical Relay Residues by Proton Management Rescues Protein Electron Hopping.
J.Am.Chem.Soc., 141, 2019
6STW
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BU of 6stw by Molmil
Adenovirus 15 Fiber Knob protein
分子名称: Fiber protein
著者Mundy, R.M, Baker, A.T, Rizkallah, P.J, Parker, A.L.
登録日2019-09-11
公開日2021-03-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Broad sialic acid usage amongst species D human adenovirus
npj Viruses, 1, 2023
6XP3
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BU of 6xp3 by Molmil
Structure of human PYCR1 complexed with cyclopentanecarboxylic acid
分子名称: Pyrroline-5-carboxylate reductase 1, mitochondrial, SULFATE ION, ...
著者Tanner, J.J, Bogner, A.N.
登録日2020-07-07
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献In crystallo screening for proline analog inhibitors of the proline cycle enzyme PYCR1.
J.Biol.Chem., 295, 2020

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