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7AW6
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BU of 7aw6 by Molmil
The extracellular region of CD33 with bound sialoside analogue P22
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, ...
著者Bradshaw, W.J, Katis, V.L, Thompson, A.P, Arrowsmith, C.H, Edwards, A.M, von Delft, F, Bountra, C, Gileadi, O.
登録日2020-11-06
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The extracellular region of CD33 with bound sialoside analogue P22
To Be Published
5MZE
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BU of 5mze by Molmil
Crystal structure of mouse MTH1 with 8-oxo-dGTP
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, COPPER (II) ION, ...
著者Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P.
登録日2017-01-31
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
5MZI
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BU of 5mzi by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
分子名称: 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rowland, P.
登録日2017-01-31
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
6TUD
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BU of 6tud by Molmil
Crystal structure of Y. pestis penicillin-binding protein 3
分子名称: Peptidoglycan D,D-transpeptidase FtsI
著者Pankov, G, Hunter, W.N, Dawson, A.
登録日2020-01-06
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of penicillin-binding protein 3 from Yersinia pestis
To Be Published
7B19
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BU of 7b19 by Molmil
Mutant Myosin-II-GGG motor domain
分子名称: ADP METAVANADATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ewert, W, Preller, M.
登録日2020-11-24
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Unraveling a Force-Generating Allosteric Pathway of Actomyosin Communication Associated with ADP and P i Release.
Int J Mol Sci, 22, 2020
5MZT
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BU of 5mzt by Molmil
X-ray structure of the H235Q mutant of GLIC in complex with bromoform
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Fourati, Z, Delarue, M.
登録日2017-02-01
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献X-ray structure of the H235Q mutant of GLIC in complex with bromoform
To Be Published
7B32
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BU of 7b32 by Molmil
MST3 in complex with MRIA7
分子名称: 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
著者Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-11-28
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
6TL4
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BU of 6tl4 by Molmil
Photosensory module (PAS-GAF-PHY) of Glycine max phyB
分子名称: PHYCOCYANOBILIN, Phytochrome
著者Nagano, S, Guan, K, Shenkutie, S.M, Hughes, J.E.
登録日2019-12-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insights into photoactivation and signalling in plant phytochromes.
Nat.Plants, 6, 2020
6TMD
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BU of 6tmd by Molmil
Crystal structure of KANK2 ankyrin repeats mutant (A670V)
分子名称: ACETATE ION, GLYCEROL, KN motif and ankyrin repeat domain-containing protein 2
著者Khan, R, Singh, A.K, Goult, B.T.
登録日2019-12-04
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of KANK2 ankyrin repeats mutant (A670V)
To be published
5N0S
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BU of 5n0s by Molmil
Crystal structure of OphA-DeltaC6 mutant Y98A in complex with SAM
分子名称: MALONATE ION, Peptide N-methyltransferase, S-ADENOSYLMETHIONINE
著者Song, H, Naismith, J.H.
登録日2017-02-03
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
6THU
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BU of 6thu by Molmil
Crystal structure of the SVS_A2 protein (A224I mutant) from ancestral sequence reconstruction at 2.6 A resolution
分子名称: SVS_AS10 variant
著者Rudraraju, R, Schnell, R, Schneider, G.
登録日2019-11-21
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
5NN5
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BU of 5nn5 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with 1-deoxynojirimycin
分子名称: 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
登録日2017-04-08
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
6TMY
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BU of 6tmy by Molmil
Crystal structure of isoform CBd of the basic phospholipase A2 subunit of crotoxin from Crotalus durissus terrificus
分子名称: CHLORIDE ION, Phospholipase A2 crotoxin basic subunit CBc, SODIUM ION, ...
著者Nemecz, D, Ostrowski, M, Saul, F.A, Faure, G.
登録日2019-12-05
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Isoform CBd of the Basic Phospholipase A 2 Subunit of Crotoxin: Description of the Structural Framework of CB for Interaction with Protein Targets.
Molecules, 25, 2020
5NNI
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BU of 5nni by Molmil
Dimer structure of Sortilin ectodomain crystal form 2, 3.2 Angstrom
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, Sortilin, ...
著者Leloup, N.O.L, Janssen, B.J.C.
登録日2017-04-09
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
5NO8
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BU of 5no8 by Molmil
Polysaccharide Lyase BACCELL_00875
分子名称: BACCELL_00875, GLYCEROL
著者Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J.
登録日2017-04-11
公開日2017-06-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins.
J. Biol. Chem., 292, 2017
6TN8
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BU of 6tn8 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, ...
著者Williams, E.P, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-12-06
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564
To Be Published
7APV
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BU of 7apv by Molmil
Structure of Artemis/DCLRE1C/SNM1C in complex with Ceftriaxone
分子名称: 1,2-ETHANEDIOL, Ceftriaxone, NICKEL (II) ION, ...
著者Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
登録日2020-10-20
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
6TIY
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BU of 6tiy by Molmil
DROSOPHILA GMPCPP-TUBULIN
分子名称: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Gigant, B.
登録日2019-11-22
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.
J.Cell Biol., 220, 2021
7AQ4
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BU of 7aq4 by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, H583E
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.708 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
5N2G
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BU of 5n2g by Molmil
Structure of the E9 DNA polymerase from vaccinia virus in complex with manganese
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tarbouriech, N, Burmeister, W.P, Iseni, F.
登録日2017-02-07
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献The vaccinia virus DNA polymerase structure provides insights into the mode of processivity factor binding.
Nat Commun, 8, 2017
5N2S
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BU of 5n2s by Molmil
Crystal structure of stabilized A1 receptor in complex with PSB36 at 3.3A resolution
分子名称: 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione, SULFATE ION, Soluble cytochrome b562,Adenosine receptor A1
著者Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M.
登録日2017-02-08
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.303 Å)
主引用文献Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
7AP2
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BU of 7ap2 by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound LeuS7HMDDA
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2020-10-15
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
5N4D
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BU of 5n4d by Molmil
Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - D661A mutant
分子名称: Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase
著者Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H.
登録日2017-02-10
公開日2017-11-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Nat Commun, 8, 2017
7ASS
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BU of 7ass by Molmil
OXA-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-MIC Selection Drives Cryptic Evolution of OXA-48
分子名称: Beta-lactamase, CHLORIDE ION, hydrolyzed ceftazidime
著者Frohlich, C, Leiros, H.-K.S.
登録日2020-10-28
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Cryptic beta-Lactamase Evolution Is Driven by Low beta-Lactam Concentrations.
Msphere, 6, 2021
6TOW
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BU of 6tow by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylotetraose.
分子名称: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-12-12
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020

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