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8RI5
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BU of 8ri5 by Molmil
Crystal structure of transplatin/B-DNA adduct obtained upon 48 h of soaking
分子名称: AMMONIA, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, ...
著者Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A.
登録日2023-12-18
公開日2024-02-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.415 Å)
主引用文献On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer.
Dalton Trans, 53, 2024
7UGM
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BU of 7ugm by Molmil
Crystal Structure of BG24-iGL CDR3mat Fab
分子名称: BG24-iGL CDR3mat Fab heavy chain, BG24-iGL CDR3mat Fab light chain
著者Dam, K.A, Barnes, C.O, Bjorkman, P.J.
登録日2022-03-25
公開日2022-11-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献HIV-1 CD4-binding site germline antibody-Env structures inform vaccine design.
Nat Commun, 13, 2022
8GFE
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BU of 8gfe by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z3261 inhibitor
分子名称: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
著者van den Akker, F, Kumar, V.
登録日2023-03-08
公開日2023-05-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
9MFQ
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BU of 9mfq by Molmil
Cat DHX9 in Complex with Compound 10 and ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lockbaum, G.J, Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A, Grigoriu, S.
登録日2024-12-10
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Discovery of ATX968: An Orally Available Allosteric Inhibitor of DHX9.
J.Med.Chem., 68, 2025
1G1V
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BU of 1g1v by Molmil
T4 LYSOZYME MUTANT C54T/C97A/I58T
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
著者Quillin, M.L, Matthews, B.W.
登録日2000-10-13
公開日2001-05-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme.
Protein Sci., 10, 2001
7Q4F
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BU of 7q4f by Molmil
Structure of coproheme decarboxylase from Corynebacterium dipththeriae W183Y mutant in complex with coproheme
分子名称: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Coproheme decarboxylase from Corynebacterium dipththeriae W183Y mutant in complex with coproheme, DI(HYDROXYETHYL)ETHER, ...
著者Michlits, H, Valente, N, Mlynek, G, Hofbauer, S.
登録日2021-10-30
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Initial Steps to Engineer Coproheme Decarboxylase to Obtain Stereospecific Monovinyl, Monopropionyl Deuterohemes.
Front Bioeng Biotechnol, 9, 2021
1G1W
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BU of 1g1w by Molmil
T4 LYSOZYME MUTANT C54T/C97A/Q105M
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
著者Quillin, M.L, Matthews, B.W.
登録日2000-10-13
公開日2001-05-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme.
Protein Sci., 10, 2001
7POX
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BU of 7pox by Molmil
TNKS2 in complex with OM-1700, treated with H2O2
分子名称: N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide, Poly [ADP-ribose] polymerase tankyrase-2
著者Sowa, S.T, Lehtio, L.
登録日2021-09-10
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The zinc-binding motif in tankyrases is required for the structural integrity of the catalytic ADP-ribosyltransferase domain.
Open Biology, 12, 2022
8GWJ
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BU of 8gwj by Molmil
SARS CoV-2 Mpro 1-302 C145A in complex with peptide 7
分子名称: Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-VAL-PHE-ARG
著者Liu, M, Huang, H.
登録日2022-09-17
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献SARS CoV-2 Mpro 1-302 C145A in complex with peptide 7
To Be Published
5KR4
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BU of 5kr4 by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
分子名称: 1,2-ETHANEDIOL, 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE
著者Wilding, M, Newman, J, Peat, T.S, Scott, C.
登録日2016-07-06
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5WJO
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BU of 5wjo by Molmil
Crystal structure of the unliganded PG90 TCR
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PG90 TCR alpha chain, ...
著者Shahine, A, Gras, S, Rossjohn, J.
登録日2017-07-24
公開日2017-10-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
7URP
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BU of 7urp by Molmil
Second cohesin module from Sca5 of Ruminococcus bromii
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Ribonucleases G and E, ...
著者Cerqueira, F, Koropatkin, N.
登録日2022-04-22
公開日2023-05-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Structures of cohesin modules from Sca5 of Ruminococcus bromii
To Be Published
7UWU
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BU of 7uwu by Molmil
Starch adherence system protein 6 (Sas6)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Starch Adherence System protein 6 (Sas6), ...
著者Photenhauer, A.L, Koropatkin, N.M.
登録日2022-05-04
公開日2023-06-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The Ruminococcus bromii amylosome protein Sas6 binds single and double helical alpha-glucan structures in starch.
Nat.Struct.Mol.Biol., 31, 2024
8T7W
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BU of 8t7w by Molmil
Crystal structure of Oxygen-dependent coproporphyrinogen-III oxidase (hemF) from Klebsiella aerogenes
分子名称: 1,2-ETHANEDIOL, Oxygen-dependent coproporphyrinogen-III oxidase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-06-21
公開日2023-06-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of Oxygen-dependent coproporphyrinogen-III oxidase (hemF) from Klebsiella aerogenes
To be published
8SZQ
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BU of 8szq by Molmil
Cat DHX9 bound to ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A.
登録日2023-05-30
公開日2023-08-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.711 Å)
主引用文献Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
8GAC
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BU of 8gac by Molmil
Crystal structure of a high affinity CTLA-4 binder
分子名称: 1,2-ETHANEDIOL, CTLA-4 binder
著者Yang, W, Almo, S.C, Baker, D, Ghosh, A.
登録日2023-02-22
公開日2024-08-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design of High Affinity Binders to Convex Protein Target Sites.
Biorxiv, 2024
7O82
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BU of 7o82 by Molmil
The L-arginine/agmatine antiporter from E. coli at 1.7 A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine/agmatine antiporter, DECANE, ...
著者Jeckelmann, J.M, Ilgue, H, Kalbermatter, D, Fotiadis, D.
登録日2021-04-14
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献High-resolution structure of the amino acid transporter AdiC reveals insights into the role of water molecules and networks in oligomerization and substrate binding.
Bmc Biol., 19, 2021
1EJM
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BU of 1ejm by Molmil
CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN
分子名称: BETA-TRYPSIN, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION
著者Otlewski, J, Smalas, A, Helland, R, Grzesiak, A, Krowarsch, D.
登録日2000-03-03
公開日2001-03-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substitutions at the P(1) position in BPTI strongly affect the association energy with serine proteinases.
J.Mol.Biol., 301, 2000
1ELS
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BU of 1els by Molmil
CATALYTIC METAL ION BINDING IN ENOLASE: THE CRYSTAL STRUCTURE OF ENOLASE-MN2+-PHOSPHONOACETOHYDROXAMATE COMPLEX AT 2.4 ANGSTROMS RESOLUTION
分子名称: ENOLASE, MANGANESE (II) ION, PHOSPHONOACETOHYDROXAMIC ACID
著者Zhang, E, Hatada, M, Brewer, J.M, Lebioda, L.
登録日1994-04-05
公開日1994-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic metal ion binding in enolase: the crystal structure of an enolase-Mn2+-phosphonoacetohydroxamate complex at 2.4-A resolution.
Biochemistry, 33, 1994
7NSW
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BU of 7nsw by Molmil
The structure of the SBP TarP_Csal in complex with coumarate
分子名称: 1,2-ETHANEDIOL, 4'-HYDROXYCINNAMIC ACID, MAGNESIUM ION, ...
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-08
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7OJY
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BU of 7ojy by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6
分子名称: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OK1
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BU of 7ok1 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3
分子名称: Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
8EJO
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BU of 8ejo by Molmil
Crystal structure of the homeodomain of Platypus sDUX in complex with DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ...
著者Yin, L, Shi, K, Aihara, H.
登録日2022-09-18
公開日2023-09-20
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
8EJP
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BU of 8ejp by Molmil
Crystal structure of the homeodomain of Platypus sDUX in complex with DNA containing 5-Bromouracil
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ...
著者Yin, L, Shi, K, Aihara, H.
登録日2022-09-18
公開日2023-09-20
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
1EVQ
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BU of 1evq by Molmil
THE CRYSTAL STRUCTURE OF THE THERMOPHILIC CARBOXYLESTERASE EST2 FROM ALICYCLOBACILLUS ACIDOCALDARIUS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SERINE HYDROLASE
著者De Simone, G, Galdiero, S, Manco, G, Lang, D, Rossi, M, Pedone, C.
登録日2000-04-20
公開日2000-11-22
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A snapshot of a transition state analogue of a novel thermophilic esterase belonging to the subfamily of mammalian hormone-sensitive lipase.
J.Mol.Biol., 303, 2000

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件を2025-12-03に公開中

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