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9QCT
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BU of 9qct by Molmil
Crystal structure of Rhizobium etli L-asparaginase ReAV R47A mutant
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, L-asparaginase II, ...
著者Pokrywka, K, Grzechowiak, M, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M.
登録日2025-03-05
公開日2025-07-16
最終更新日2025-08-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Probing the Active Site of Class 3 L-Asparaginase by Mutagenesis: Mutations of the Ser-Lys Tandems of ReAV.
Biomolecules, 15, 2025
9QCU
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Crystal structure of Rhizobium etli L-asparaginase ReAV S48A mutant
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Pokrywka, K, Grzechowiak, M, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M.
登録日2025-03-05
公開日2025-07-16
最終更新日2025-08-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Probing the Active Site of Class 3 L-Asparaginase by Mutagenesis: Mutations of the Ser-Lys Tandems of ReAV.
Biomolecules, 15, 2025
7PLN
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BU of 7pln by Molmil
Structure of the APCbeta domain of Plasmodium vivax perforin-like protein 1
分子名称: Sporozoite micronemal protein essential for cell traversal, putative
著者Williams, S.I, Ni, T, Yu, X, Gilbert, R.J.C.
登録日2021-08-31
公開日2022-06-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural, Functional and Computational Studies of Membrane Recognition by Plasmodium Perforin-Like Proteins 1 and 2
J.Mol.Biol., 434, 2022
9QCY
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BU of 9qcy by Molmil
Crystal structure of Rhizobium etli L-asparaginase ReAV S80A mutant
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Pokrywka, K, Grzechowiak, M, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M.
登録日2025-03-05
公開日2025-07-16
最終更新日2025-08-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Probing the Active Site of Class 3 L-Asparaginase by Mutagenesis: Mutations of the Ser-Lys Tandems of ReAV.
Biomolecules, 15, 2025
7A8S
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BU of 7a8s by Molmil
de novo designed ba8-barrel sTIM11 with an alpha-helical extension
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, sTIM11_h3
著者Shanmugaratnam, S, Wiese, J.G, Hocker, B.
登録日2020-08-31
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Extension of a de novo TIM barrel with a rationally designed secondary structure element.
Protein Sci., 30, 2021
8QSY
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BU of 8qsy by Molmil
Portal capsid interface of full Haloferax tailed virus 1.
分子名称: Capsid stabilization protein, HK97 gp5-like major capsid protein, HK97 gp6-like/SPP1 gp15-like head-tail connector, ...
著者Zhang, D, Daum, B, Isupov, M.N, McLaren, M.
登録日2023-10-11
公開日2024-10-23
最終更新日2025-10-22
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Cryo-EM resolves the structure of the archaeal dsDNA virus HFTV1 from head to tail.
Sci Adv, 11, 2025
9RP9
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BU of 9rp9 by Molmil
Crystal structure of mouse pVHL-ElonginB-ElonginC complex
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
著者Blat, A, Biterova, E, Cukier, C.
登録日2025-06-24
公開日2025-07-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of mouse pVHL-ElonginB-ElonginC complex
To Be Published
7PGO
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BU of 7pgo by Molmil
OXA-48_R250A with carbamylated Lys73 with bromide ions bound at neutral pH
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-15
公開日2022-08-24
最終更新日2025-08-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
6ZXM
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BU of 6zxm by Molmil
Diguanylate cyclase DgcR in complex with c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Putative GGDEF/response regulator receiver domain protein
著者Teixeira, R.D, Schirmer, T.
登録日2020-07-29
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Activation mechanism of a small prototypic Rec-GGDEF diguanylate cyclase.
Nat Commun, 12, 2021
7PFN
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BU of 7pfn by Molmil
Acetyllysine73-incorporated OXA-48 complexed with imipenem in both active and inactive acyl-enzyme intermediates
分子名称: 1-BUTANOL, Beta-lactamase, Imipenem, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-11
公開日2022-08-24
最終更新日2025-08-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7NO0
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BU of 7no0 by Molmil
Structure of the mature RSV CA lattice: T=1 CA icosahedron
分子名称: Capsid protein p27, alternate cleaved 1
著者Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
登録日2021-02-25
公開日2021-04-21
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
8HF8
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BU of 8hf8 by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist V1
分子名称: 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside
著者Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
登録日2022-11-09
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases.
J.Med.Chem., 66, 2023
6ZMD
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BU of 6zmd by Molmil
Crystal structure of HYPE covalently tethered to BiP bound to AMP-PNP
分子名称: Endoplasmic reticulum chaperone BiP, MAGNESIUM ION, PHOSPHATE ION, ...
著者Fauser, J, Gulen, B, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V.
登録日2020-07-02
公開日2021-04-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Specificity of AMPylation of the human chaperone BiP is mediated by TPR motifs of FICD.
Nat Commun, 12, 2021
7PEH
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BU of 7peh by Molmil
Apo OXA-48 with fully carbamylated Lys73 at pH 7.5
分子名称: 1-BUTANOL, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-10
公開日2022-08-24
最終更新日2025-08-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
9QQ1
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BU of 9qq1 by Molmil
KRAS-G12D(1-169) - GDP IN covalent COMPLEX with compound (3S,4R)-8
分子名称: (2~{S})-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-2-(oxan-4-ylmethyl)-4-oxidanylidene-butanoic acid, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Ostermann, N.
登録日2025-03-31
公開日2025-07-23
最終更新日2025-08-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Promise and Challenge of beta-Lactone Electrophiles to Target Aspartate 12 of Mutant KRAS G12D .
J.Med.Chem., 68, 2025
8AYE
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BU of 8aye by Molmil
E. coli 70S ribosome bound to thermorubin and fMet-tRNA
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Sanyal, S, Parajuli, N.P, Emmerich, A.G.
登録日2022-09-02
公開日2023-03-01
最終更新日2025-03-12
実験手法ELECTRON MICROSCOPY (1.96 Å)
主引用文献Antibiotic thermorubin tethers ribosomal subunits and impedes A-site interactions to perturb protein synthesis in bacteria.
Nat Commun, 14, 2023
8AQV
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BU of 8aqv by Molmil
BA.2.12.1 SARS-CoV-2 Spike bound to mouse ACE2 (local)
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, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ...
著者Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E.
登録日2022-08-13
公開日2023-03-01
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
6VXI
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BU of 6vxi by Molmil
Structure of ABCG2 bound to mitoxantrone
分子名称: 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL
著者Orlando, B.J, Liao, M.
登録日2020-02-21
公開日2020-05-13
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献ABCG2 transports anticancer drugs via a closed-to-open switch.
Nat Commun, 11, 2020
8H25
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BU of 8h25 by Molmil
Lacticaseibacillus casei GH35 beta-galactosidase LBCZ_0230
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-galactosidase, DI(HYDROXYETHYL)ETHER, ...
著者Saburi, W, Ota, T, Kato, K, Tagami, T, Yamashita, K, Yao, M, Mori, H.
登録日2022-10-04
公開日2023-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Function and Structure of Lacticaseibacillus casei GH35 beta-Galactosidase LBCZ_0230 with High Hydrolytic Activity to Lacto- N -biose I and Galacto- N -biose.
J Appl Glycosci (1999), 70, 2023
9RM4
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BU of 9rm4 by Molmil
Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015373
分子名称: SODIUM ION, Serine protease subunit NS2B,Serine protease NS3, ~{N}-[3-chloranyl-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]phenyl]-5-[(dimethylamino)methyl]-1~{H}-pyrrole-2-carboxamide
著者Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Fearon, D, von Delft, F.
登録日2025-06-17
公開日2025-07-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015373
To Be Published
7PK8
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BU of 7pk8 by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2S,4S)-4-fluoranyl-N-[(3R,5R)-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-08-25
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PJG
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BU of 7pjg by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2R,4R)-N-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-08-24
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7NS3
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BU of 7ns3 by Molmil
Substrate receptor scaffolding module of yeast Chelator-GID SR4 E3 ubiquitin ligase bound to Fbp1 substrate
分子名称: BJ4_G0018240.mRNA.1.CDS.1, Fructose-bisphosphatase, Glucose-induced degradation protein 8, ...
著者Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
登録日2021-03-05
公開日2021-05-05
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
9RM2
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BKPyV VP1 IN COMPLEX WITH 319C07-FAB
分子名称: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 319C07 antibody heavy chain, ...
著者Schmitt, S, Hillenbrand, M.
登録日2025-06-17
公開日2025-07-09
最終更新日2025-07-30
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A highly potent human antibody neutralizing all serotypes of BK polyomavirus.
Plos Pathog., 21, 2025
7A9B
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BU of 7a9b by Molmil
Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide
分子名称: 1,2-ETHANEDIOL, SH3 and multiple ankyrin repeat domains protein 1,Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
著者Mariam McAuley, M, Ali, M, Ivarsson, Y, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2020-09-01
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide
to be published

245011

件を2025-11-19に公開中

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