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PDB: 498 件
7PKR
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BU of 7pkr by Molmil
Vault structure in primmed conformation
分子名称: Major vault protein
著者Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N.
登録日2021-08-26
公開日2022-03-16
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Symmetry disruption commits vault particles to disassembly.
Sci Adv, 8, 2022
7PKY
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BU of 7pky by Molmil
Half-vault structure
分子名称: Major vault protein
著者Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N.
登録日2021-08-27
公開日2022-03-23
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (7.9 Å)
主引用文献Symmetry disruption commits vault particles to disassembly.
Sci Adv, 8, 2022
6YJM
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BU of 6yjm by Molmil
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972
分子名称: (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ...
著者Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M.
登録日2020-04-03
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis.
J.Med.Chem., 64, 2021
5M1S
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BU of 5m1s by Molmil
Cryo-EM structure of the E. coli replicative DNA polymerase-clamp-exonuclase-theta complex bound to DNA in the editing mode
分子名称: DNA Primer Strand, DNA Template Strand, DNA polymerase III subunit alpha, ...
著者Fernandez-Leiro, R, Conrad, J, Scheres, S.H.W, Lamers, M.H.
登録日2016-10-10
公開日2017-01-18
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献Self-correcting mismatches during high-fidelity DNA replication.
Nat. Struct. Mol. Biol., 24, 2017
7PKZ
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BU of 7pkz by Molmil
Vault structure in committed conformation
分子名称: Major vault protein
著者Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N.
登録日2021-08-27
公開日2022-03-16
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (9.8 Å)
主引用文献Symmetry disruption commits vault particles to disassembly.
Sci Adv, 8, 2022
5FDL
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BU of 5fdl by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899
分子名称: P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
著者Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M.
登録日2015-12-16
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
6Z1B
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BU of 6z1b by Molmil
Structure of K52-acetylated RutR in complex with uracil.
分子名称: 1,2-ETHANEDIOL, HTH-type transcriptional regulator RutR, URACIL
著者Kremer, M, Schulze, S, Lammers, M.
登録日2020-05-13
公開日2022-06-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of K52-acetylated RutR in complex with uracil.
To Be Published
5FR2
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BU of 5fr2 by Molmil
Farnesylated RhoA-GDP in complex with RhoGDI-alpha, lysine acetylated at K178
分子名称: FARNESYL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Kuhlmann, N, Wroblowski, S, Knyphausen, P, de Boor, S, Brenig, J, Zienert, A.Y, Meyer-Teschendorf, K, Praefcke, G.J.K, Nolte, H, Krueger, M, Schacherl, M, Baumann, U, James, L.C, Chin, J.W, Lammers, M.
登録日2015-12-15
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Structural and Mechanistic Insights Into the Regulation of the Fundamental Rho-Regulator Rhogdi Alpha by Lysine Acetylation.
J.Biol.Chem., 291, 2016
6Y9K
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BU of 6y9k by Molmil
Esterase EST8 with transacylase activity
分子名称: Esterase Est8
著者Palm, G.J, Lammers, M, Berndt, L.
登録日2020-03-09
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Sequence-Based Prediction of Promiscuous Acyltransferase Activity in Hydrolases.
Angew.Chem.Int.Ed.Engl., 59, 2020
7L5A
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BU of 7l5a by Molmil
Crystal structure of the photosensory module from Xanthomonas campestris bacteriophytochrome XccBphP in the Pfr state
分子名称: BILIVERDINE IX ALPHA, Bacteriophytochrome
著者Otero, L.H, Antelo, G, Sanchez-Lamas, M, Klinke, S, Goldbaum, F.A, Rinaldi, J, Bonomi, H.R.
登録日2020-12-21
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.
Sci Adv, 7, 2021
7L59
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BU of 7l59 by Molmil
Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP-G454E variant from Xanthomonas campestris in the Pfr state
分子名称: BILIVERDINE IX ALPHA, Bacteriophytochrome
著者Otero, L.H, Antelo, G, Sanchez-Lamas, M, Klinke, S, Goldbaum, F.A, Rinaldi, J, Bonomi, H.R.
登録日2020-12-21
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.
Sci Adv, 7, 2021
6F4N
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BU of 6f4n by Molmil
Human JMJD5 in complex with MN and 2OG.
分子名称: 2-OXOGLUTARIC ACID, JmjC domain-containing protein 5, MANGANESE (II) ION
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2017-11-29
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
7D50
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BU of 7d50 by Molmil
SpuA mutant - H221N with glutamyl-thioester
分子名称: MAGNESIUM ION, Probable glutamine amidotransferase
著者Chen, Y, Zhang, Q, Bartlam, M.
登録日2020-09-24
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
5FYQ
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BU of 5fyq by Molmil
Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide
分子名称: NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, RAN AA 31-43, SULFATE ION, ...
著者Knyphausen, P, de Boor, S, Scislowski, L, Extra, A, Baldus, L, Schacherl, M, Baumann, U, Neundorf, I, Lammers, M.
登録日2016-03-09
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Insights Into Lysine-Deacetylation of Natively Folded Substrate Proteins by Sirtuins.
J.Biol.Chem., 291, 2016
5WQP
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BU of 5wqp by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, PHOSPHATE ION, ...
著者Li, S, Wang, Y, Bartlam, M.
登録日2016-11-27
公開日2017-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
6F4O
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BU of 6f4o by Molmil
Human JMJD5 in complex with Mn(II) and Succinate.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, JmjC domain-containing protein 5, MANGANESE (II) ION, ...
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2017-11-29
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6F4M
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BU of 6f4m by Molmil
Human JMJD5 in its apo form.
分子名称: JmjC domain-containing protein 5
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2017-11-29
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
4JOM
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BU of 4jom by Molmil
Structure of E. coli Pol III 3mPHP mutant
分子名称: DNA polymerase III subunit alpha, GLYCEROL, PHOSPHATE ION, ...
著者Barros, T, Guenther, J, Kelch, B, Anaya, J, Prabhakar, A, O'Donnell, M, Kuriyan, J, Lamers, M.H.
登録日2013-03-18
公開日2013-05-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A structural role for the PHP domain in E. coli DNA polymerase III.
Bmc Struct.Biol., 13, 2013
4MFI
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BU of 4mfi by Molmil
Crystal structure of Mycobacterium tuberculosis UgpB
分子名称: Sn-glycerol-3-phosphate ABC transporter substrate-binding protein UspB
著者Jiang, D, Bartlam, M, Rao, Z.
登録日2013-08-28
公開日2014-07-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural analysis of Mycobacterium tuberculosis ATP-binding cassette transporter subunit UgpB reveals specificity for glycerophosphocholine
Febs J., 281, 2014
3EKX
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BU of 3ekx by Molmil
Crystal structure of the wild-type HIV-1 protease with the inhibitor, Nelfinavir
分子名称: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2008-09-19
公開日2009-09-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
1CGL
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BU of 1cgl by Molmil
Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor
分子名称: CALCIUM ION, FIBROBLAST COLLAGENASE, N-[(1S)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-(2-morpholin-4-ylethyl)-L-phenylalaninamide, ...
著者Lovejoy, B, Cleasby, A, Hassell, A.M, Longley, K, Luther, M.A, Weigl, D, Mcgeehan, G, Mcelroy, A.B, Drewry, D, Lambert, M.H, Jordan, S.R.
登録日1993-11-17
公開日1995-02-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor.
Science, 263, 1994
7PU7
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BU of 7pu7 by Molmil
DNA polymerase from M. tuberculosis
分子名称: DNA polymerase III subunit alpha, Template, ZINC ION, ...
著者Borsellini, A, Lamers, M.H.
登録日2021-09-28
公開日2022-02-23
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献DNA-Dependent Binding of Nargenicin to DnaE1 Inhibits Replication in Mycobacterium tuberculosis.
Acs Infect Dis., 8, 2022
7PKK
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BU of 7pkk 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)-1-cyclopropylcarbonyl-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]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2021-08-25
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 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
6F4S
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BU of 6f4s by Molmil
Human JMJD5 (N308C) in complex with Mn(II), 2OG and RCCD1 (139-143) (complex-4)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, GLYCEROL, ...
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2017-11-30
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.461 Å)
主引用文献JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
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

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