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PDB: 45697 件

2PK4
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THE REFINED STRUCTURE OF THE EPSILON-AMINOCAPROIC ACID COMPLEX OF HUMAN PLASMINOGEN KRINGLE
分子名称: 6-AMINOHEXANOIC ACID, HUMAN PLASMINOGEN KRINGLE 4
著者Tulinsky, A, Wu, T.-P.
登録日1991-07-18
公開日1993-10-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The refined structure of the epsilon-aminocaproic acid complex of human plasminogen kringle 4.
Biochemistry, 30, 1991
7VRU
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Crystal structure of PacII_M1M2S-DNA-SAH complex
分子名称: DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ...
著者Zhu, J, Gao, P.
登録日2021-10-25
公開日2022-11-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
5ENB
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Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENI
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Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening)
分子名称: PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
7SXQ
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Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag
分子名称: 1,2-ETHANEDIOL, Apicoplast DNA polymerase, CHLORIDE ION, ...
著者Nieto, N, Chheda, P, Kerns, R, Nelson, S, Honzatko, R.
登録日2021-11-24
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Promising antimalarials targeting apicoplast DNA polymerase from Plasmodium falciparum.
Eur.J.Med.Chem., 243, 2022
8BRR
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Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8R3B
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Cocrystal form I of the Pent - sulfonato-calix[8]arene complex
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene
著者Flood, R.J, Crowley, P.B.
登録日2023-11-08
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
8BSA
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Vc1313-LBD bound to D-arginine
分子名称: D-ARGININE, Methyl-accepting chemotaxis protein
著者ter Beek, J, Berntsson, R.P.-A.
登録日2022-11-24
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献D-amino acids signal a stress-dependent run-away response in Vibrio cholerae.
Nat Microbiol, 8, 2023
8BSB
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Vc1313-LBD bound to D-lysine
分子名称: D-LYSINE, Methyl-accepting chemotaxis protein
著者ter Beek, J, Berntsson, R.P.-A.
登録日2022-11-24
公開日2023-06-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献D-amino acids signal a stress-dependent run-away response in Vibrio cholerae.
Nat Microbiol, 8, 2023
8AMD
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Cryo-EM structure of the RecA presynaptic filament from S.pneumoniae
分子名称: DNA, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein RecA
著者Perry, T.N, Fronzes, R, Polard, P, Hertzog, M.
登録日2022-08-03
公開日2023-03-22
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Assembly mechanism and cryoEM structure of RecA recombination nucleofilaments from Streptococcus pneumoniae.
Nucleic Acids Res., 51, 2023
5XP9
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Crystal structure of Bismuth bound NDM-1
分子名称: Bismuth(III) ION, GLYCEROL, Metallo-beta-lactamase type 2
著者Zhang, H, Ma, G, Lai, T.P, Sun, H.
登録日2017-06-01
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
7SXL
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BU of 7sxl by Molmil
Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Nieto, N, Chheda, P, Kerns, R, Nelson, S, Honzatko, R.
登録日2021-11-23
公開日2022-10-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Promising antimalarials targeting apicoplast DNA polymerase from Plasmodium falciparum.
Eur.J.Med.Chem., 243, 2022
6Z54
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Crystal structure of CLK3 in complex with macrocycle ODS2003178
分子名称: 1,2-ETHANEDIOL, 11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of CLK3 in complex with macrocycle ODS2003178
To Be Published
8CX8
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Stx2A1-BTB13086
分子名称: 1,2-ETHANEDIOL, 5-(4-chlorophenyl)furan-2-carboxylic acid, CHLORIDE ION, ...
著者Rudolph, M.J, Li, X.P.
登録日2022-05-20
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Stx2A1-BTB13086
To Be Published
8EFF
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BU of 8eff by Molmil
CryoEM of the soluble OPA1 tetramer from the GDP-AlFx bound helical assembly on a lipid membrane
分子名称: Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E.
登録日2022-09-08
公開日2023-06-28
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (5.48 Å)
主引用文献OPA1 helical structures give perspective to mitochondrial dysfunction.
Nature, 620, 2023
8UIF
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BU of 8uif by Molmil
Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365096A
分子名称: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2S)-oxolan-2-yl]-3-[(3S)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide
著者Concha, N.O, Williams, S.P.
登録日2023-10-10
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.
Bioorg.Med.Chem., 100, 2024
6VLN
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BU of 6vln by Molmil
Crystal structure of 4498 Fab in complex with circumsporozoite protein DND3 and anti-Kappa VHH domain
分子名称: 4498 Fab heavy chain, 4498 Fab light chain, Circumsporozoite protein, ...
著者Thai, E, Scally, S.W, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P.
登録日2020-01-24
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
6NDB
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RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND COBALT
分子名称: AMMONIUM ION, CHLORIDE ION, COBALT (II) ION, ...
著者Stetefeld, J, McDougall, M.D, Loewen, P.C.
登録日2018-12-13
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND COBALT
To be published
7WGK
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BU of 7wgk by Molmil
Crystal structure of Adenosine triphosphate phosphoribosyltransferase (HisG) from Acinetobacter baumannii at 3.13 A resolution
分子名称: ATP phosphoribosyltransferase
著者Ahmad, N, Maurya, A, Singh, P.K, Viswanathan, V, Sharma, P, Singh, T.P, Sharma, S.
登録日2021-12-28
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Crystal structure of Adenosine triphosphate phosphoribosyltransferase (HisG) from Acinetobacter baumannii at 3.13 A resolution
To Be Published
4TN4
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Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 33G: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
分子名称: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C.
登録日2014-06-03
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities.
J.Med.Chem., 58, 2015
7WBQ
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Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant spike glycoprotein in complex with its receptor human ACE2
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, Angiotensin-converting enzyme 2, ...
著者Qi, J, Han, P.
登録日2021-12-17
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
1BMW
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BU of 1bmw by Molmil
A fibronectin type III fold in plant allergens: The solution structure of Phl PII from timothy grass pollen, NMR, 38 STRUCTURES
分子名称: POLLEN ALLERGEN PHL P2
著者De Marino, S, Morelli, M.A.C, Fraternali, F, Tamborino, E, Vrtala, S, Dolecek, C, Arosio, P, Valenta, R, Pastore, A.
登録日1998-07-27
公開日1999-01-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献An Immunoglobulin-Like Fold in a Major Plant Allergen: The Solution Structure of Phl P 2 from Timothy Grass Pollen.
Structure Fold.Des., 7, 1999
8UIA
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Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365097A
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, GLYCEROL, ...
著者Concha, N.O, Williams, S.P.
登録日2023-10-10
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.
Bioorg.Med.Chem., 100, 2024
7D0X
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NMR solution structures of the DNA minidumbbell formed by 5'-mCTTGXmCTTG-3'
分子名称: DNA (5'-D(*(MCY)P*TP*TP*GP*(3DR)P*(5CM)P*TP*TP*G)-3'), SODIUM ION
著者Wan, L, Guo, P, Lam, S.L.
登録日2020-09-12
公開日2021-02-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献5-Methylcytosine Substantially Enhances the Thermal Stability of DNA Minidumbbells.
Chemistry, 27, 2021
8V1L
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Crystal structure of the NTF2L domain of human G3BP1 in complex with small molecule
分子名称: N-[(2S)-2-fluoro-4,4-dimethylpentanoyl]-3-hydroxy-L-valyl-(betaS)-beta-methyl-L-phenylalanyl-D-alanyl-N-benzyl-N,O-dimethyl-L-homoserinamide, Ras GTPase-activating protein-binding protein 1
著者Hughes, M.P, Taylor, J.P.
登録日2023-11-20
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Identification of small molecule inhibitors of G3BP-driven stress granule formation.
J.Cell Biol., 223, 2024

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件を2024-07-10に公開中

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