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9DRB
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BU of 9drb by Molmil
Binary complex of DNA polymerase iota with product DNA
分子名称: DNA (5'-D(P*AP*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*CP*T)-3'), DNA polymerase iota
著者Frevert, Z, Reusch, D, Freudenthal, B, Washington, M.T.
登録日2024-09-25
公開日2025-07-09
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Visualizing DNA polymerase iota catalyze Hoogsteen-directed DNA synthesis
Nat Commun, 16, 2025
9DRC
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BU of 9drc by Molmil
Ternary substrate complex of DNA polymerase iota R71A mutant with DNA (template A) and dTTP
分子名称: CALCIUM ION, DNA (5'-D(P*AP*AP*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), DNA polymerase iota, ...
著者Frevert, Z, Reusch, D, Freudenthal, B, Washington, M.T.
登録日2024-09-25
公開日2025-07-09
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Visualizing DNA polymerase iota catalyze Hoogsteen-directed DNA synthesis
Nat Commun, 16, 2025
6XA9
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BU of 6xa9 by Molmil
SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide
分子名称: GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ...
著者Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
登録日2020-06-04
公開日2020-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
6SH7
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BU of 6sh7 by Molmil
Crystal structure of the human DEAH-helicase DHX15 in complex with the NKRF G-patch
分子名称: NF-kappa-B-repressing factor, Pre-mRNA-splicing factor ATP-dependent RNA helicase DHX15
著者Jonas, S, Studer, M.K, Ivanovic, L.
登録日2019-08-05
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural basis for DEAH-helicase activation by G-patch proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RTE
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BU of 6rte by Molmil
Dihydro-heme d1 dehydrogenase NirN in complex with DHE
分子名称: (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C
著者Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W.
登録日2019-05-23
公開日2019-06-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
6YLV
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BU of 6ylv by Molmil
Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG mRNA 5' cap analog
分子名称: 4-Cl-Bn7GpppG mRNA 5' cap analog, Eukaryotic translation initiation factor 4E, GLYCEROL
著者Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J.
登録日2020-04-07
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.66005659 Å)
主引用文献Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
6TDB
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BU of 6tdb by Molmil
Neuropilin2-b1 domain in a complex with the C-terminal VEGFB167 peptide
分子名称: 1,2-ETHANEDIOL, ACETYL GROUP, C-terminal VEGFB167 peptide, ...
著者Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S.
登録日2019-11-08
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献NRP2-b1 domain in a complex with the C-terminal VEGFB167 peptide
To Be Published
6T6X
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BU of 6t6x by Molmil
Structure of the Bottromycin epimerase BotH in complex with substrate
分子名称: (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH
著者Koehnke, J, Sikandar, A.
登録日2019-10-20
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
8G6C
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BU of 8g6c by Molmil
GTP Cyclohydrolase-IB with manganese
分子名称: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, MANGANESE (II) ION
著者McWhorter, K.L, Amaya Lopez, C.Y, Davis, K.M.
登録日2023-02-14
公開日2024-02-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Combatting melioidosis with chemical synthetic lethality.
Proc.Natl.Acad.Sci.USA, 121, 2024
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
分子名称: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Bothe, S, Schindelin, H.
登録日2021-10-01
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
7QIV
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BU of 7qiv by Molmil
Structure of human C3b in complex with the EWE nanobody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ...
著者Pedersen, H, Andersen, G.R.
登録日2021-12-16
公開日2022-02-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Engineering of a Complement Component C3-Binding Nanobody Improves Specificity and Adds Cofactor Activity.
Front Immunol, 13, 2022
8V1J
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BU of 8v1j by Molmil
Structure of an allelic variant of Puccinia graminis f. sp. tritici (Pgt) effector AvrSr27 (AvrSr27-1)
分子名称: AvrSr27, ZINC ION
著者Outram, M.A, Williams, S.J, Ericsson, D.J.
登録日2023-11-20
公開日2024-06-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.41596365 Å)
主引用文献AvrSr27 is a zinc-bound effector with a modular structure important for immune recognition.
New Phytol., 243, 2024
8V1X
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BU of 8v1x by Molmil
Crystal structure of polyketide synthase (PKS) thioreductase domain from Streptomyces coelicolor
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pereira, J.H, Dan, Q, Keasling, J, Adams, P.D.
登録日2023-11-21
公開日2024-11-27
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A polyketide-based biosynthetic platform for diols, amino alcohols and hydroxy acids
Nat Catal, 8, 2025
7Q7F
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BU of 7q7f by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7N
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BU of 7q7n by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 120 MPa helium gas pressure in a sapphire capillary
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7G
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BU of 7q7g by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 30 MPa helium gas pressure in a sapphire capillary
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7O
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BU of 7q7o by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure after high helium gas pressure release
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7J
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BU of 7q7j by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 75 MPa helium gas pressure in a sapphire capillary
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
8VJZ
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BU of 8vjz by Molmil
HLA-A*03:01 with WT KRAS-10mer
分子名称: Beta-2-microglobulin, GLYCEROL, GTPase KRas, ...
著者Sim, M.J.W, Sun, P.D.
登録日2024-01-08
公開日2024-12-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and structural characterization of a mutant KRAS-G12V specific TCR restricted by HLA-A3.
Eur.J.Immunol., 54, 2024
6BX8
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BU of 6bx8 by Molmil
Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C)
分子名称: SULFATE ION, Tissue factor pathway inhibitor, Trypsin-3
著者Coban, M, Sankaran, B, Cohen, I, Hockla, A, Papo, N, Radisky, E.S.
登録日2017-12-18
公開日2019-02-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J. Biol. Chem., 294, 2019
7QYH
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BU of 7qyh by Molmil
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
分子名称: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
著者Bobrovs, R, Jaudzems, K.
登録日2022-01-28
公開日2022-06-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022
7OR2
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BU of 7or2 by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 4)
分子名称: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
著者Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
登録日2021-06-04
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7OSQ
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BU of 7osq by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)
分子名称: 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
著者Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
登録日2021-06-09
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7OOU
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BU of 7oou by Molmil
NaK C-DI mutant with Li+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-28
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OQ2
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BU of 7oq2 by Molmil
NaK S-DI mutant soaked in Na+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023

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件を2025-07-09に公開中

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