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6OQI
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BU of 6oqi by Molmil
CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine)
分子名称: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2
著者Murray, J.M.
登録日2019-04-26
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
7PO9
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BU of 7po9 by Molmil
Crystal structure of ZAD-domain of M1BP protein from D.melanogaster
分子名称: LD30467p, ZINC ION
著者Boyko, K.M, Bonchuk, A.N, Nikolaeva, A.Y, Georgiev, P.G, Popov, V.O.
登録日2021-09-08
公開日2021-12-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into highly similar spatial organization of zinc-finger associated domains with a very low sequence similarity.
Structure, 30, 2022
6ORG
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BU of 6org by Molmil
Crystal structure of SpGH29
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Pluvinage, B, Boraston, A.B.
登録日2019-04-30
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
6KLL
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BU of 6kll by Molmil
F-actin of cardiac thin filament in low-calcium state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Oda, T, Yanagisawa, H, Wakabayashi, T.
登録日2019-07-30
公開日2020-01-15
最終更新日2020-03-11
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of cardiac thin filaments reveal the 3D architecture of troponin.
J.Struct.Biol., 209, 2020
4TWM
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BU of 4twm by Molmil
Crystal structure of dioscorin from Dioscorea japonica
分子名称: Dioscorin 5, SULFATE ION
著者Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2014-07-01
公開日2015-04-01
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase
Mol Plant, 8, 2015
7S2W
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BU of 7s2w by Molmil
Crystal structure of hen egg white lysozyme
分子名称: Lysozyme C, SODIUM ION
著者Lima, L.M.T.R, Ramos, N.G.
登録日2021-09-03
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
4FYT
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BU of 4fyt by Molmil
Human aminopeptidase N (CD13) in complex with amastatin
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, AMASTATIN, ...
著者Wong, A.H, Rini, J.M.
登録日2012-07-05
公開日2012-09-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The X-ray Crystal Structure of Human Aminopeptidase N Reveals a Novel Dimer and the Basis for Peptide Processing.
J.Biol.Chem., 287, 2012
6OJE
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BU of 6oje by Molmil
Dimeric structure of LRRK2 GTPase domain
分子名称: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION
著者Hoang, Q.Q, Wu, C.X, Liao, J, Park, Y.
登録日2019-04-11
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for conformational plasticity in the GTPase domain of the Parkinson's disease-associated protein LRRK2
To Be Published
6KHA
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BU of 6kha by Molmil
Solution structure of bovine insulin amyloid intermediate-2
分子名称: Insulin A chain, Insulin B chain
著者Ratha, B.N, Kar, R.K, Brender, J.B, Bhunia, A.
登録日2019-07-14
公開日2020-08-12
最終更新日2020-11-18
実験手法SOLUTION NMR
主引用文献High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
5DQ9
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BU of 5dq9 by Molmil
Structure of S55-3 Fab in complex with Lipid A
分子名称: 2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, MAb 44B1 light chain, ...
著者Haji-Ghassemi, O, Evans, S.V.
登録日2015-09-14
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Lipid A-antibody structures reveal a widely-utilized pocket specific for negatively charged groups derived from from unrelated V-genes
J.Biol.Chem., 2015
2R6G
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BU of 2r6g by Molmil
The Crystal Structure of the E. coli Maltose Transporter
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Maltose transport system permease protein malF, Maltose transport system permease protein malG, ...
著者Oldham, M.L, Khare, D, Quiocho, F.A, Davidson, A.L, Chen, J.
登録日2007-09-05
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a catalytic intermediate of the maltose transporter.
Nature, 450, 2007
4UDF
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BU of 4udf by Molmil
STRUCTURAL BASIS OF HUMAN PARECHOVIRUS NEUTRALIZATION BY HUMAN MONOCLONAL ANTIBODIES
分子名称: HUMAN MONOCLONAL ANTIBODY, Protein VP0, Protein VP3
著者Shakeel, S, Westerhuis, B.M, Ora, A, Koen, G, Bakker, A.Q, Claassen, Y, Beaumont, T, Wolthers, K.C, Butcher, S.J.
登録日2014-12-10
公開日2015-07-22
最終更新日2018-10-03
実験手法ELECTRON MICROSCOPY (20 Å)
主引用文献Structural Basis of Human Parechovirus Neutralization by Human Monoclonal Antibodies.
J. Virol., 89, 2015
6LGB
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BU of 6lgb by Molmil
Bombyx mori GH13 sucrose hydrolase complexed with glucose
分子名称: CALCIUM ION, GLYCEROL, MAGNESIUM ION, ...
著者Miyazaki, T.
登録日2019-12-05
公開日2020-05-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-function analysis of silkworm sucrose hydrolase uncovers the mechanism of substrate specificity in GH13 subfamily 17exo-alpha-glucosidases.
J.Biol.Chem., 295, 2020
6OH1
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BU of 6oh1 by Molmil
IgA1 Protease G5 domain structure
分子名称: Immunoglobulin A1 protease
著者Eisenmesser, E.Z, Chi, Y.C, Paukovich, N, Redzic, J.S, Rahkola, J.T, Janoff, E.N.
登録日2019-04-04
公開日2020-02-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Streptococcus pneumoniae G5 domains bind different ligands.
Protein Sci., 28, 2019
6KU2
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BU of 6ku2 by Molmil
The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide Cys412
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-30
公開日2020-08-26
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6OQ1
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BU of 6oq1 by Molmil
Crystal Structure of Branched K11/K48-Linked Tri-Ubiquitin
分子名称: Ubiquitin
著者Boughton, A.J, Fushman, D.
登録日2019-04-25
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Branching via K11 and K48 Bestows Ubiquitin Chains with a Unique Interdomain Interface and Enhanced Affinity for Proteasomal Subunit Rpn1.
Structure, 28, 2020
2R5N
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BU of 2r5n by Molmil
Crystal structure of transketolase from Escherichia coli in noncovalent complex with acceptor aldose ribose 5-phosphate
分子名称: 1,2-ETHANEDIOL, 5-O-phosphono-beta-D-ribofuranose, CALCIUM ION, ...
著者Parthier, C, Asztalos, P, Wille, G, Tittmann, K.
登録日2007-09-04
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Strain and Near Attack Conformers in Enzymic Thiamin Catalysis: X-ray Crystallographic Snapshots of Bacterial Transketolase in Covalent Complex with Donor Ketoses Xylulose 5-phosphate and Fructose 6-phosphate, and in Noncovalent Complex with Acceptor Aldose Ribose 5-phosphate.
Biochemistry, 46, 2007
7Q4R
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BU of 7q4r by Molmil
Crystal structure of human HSP72-NBD in complex with fragment 1
分子名称: 4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide, Heat shock 70 kDa protein 1A, MAGNESIUM ION, ...
著者Le Bihan, Y.V, Westwood, I.M, van Montfort, R.L.M.
登録日2021-11-02
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70.
Molecules, 27, 2022
6I5W
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BU of 6i5w by Molmil
BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannobiose
分子名称: ACETATE ION, Solute Binding Protein BlMnBP1, Blac_00780 in complex with mannopentaose, ...
著者Abou Hachem, M, Ejby, M, Guskov, A, Slotboom, D.J.
登録日2018-11-14
公開日2019-04-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles.
Mol.Microbiol., 112, 2019
6OJR
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BU of 6ojr by Molmil
Crystal structure of Sphingomonas paucimobilis TMY1009 apo-LsdA
分子名称: GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, MAGNESIUM ION
著者Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D.
登録日2019-04-12
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase.
J.Biol.Chem., 294, 2019
2R68
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BU of 2r68 by Molmil
Complex Structure of Sucrose Phosphate Synthase (SPS)-S6P of Halothermothrix orenii
分子名称: 6-O-phosphono-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Glycosyl transferase, group 1
著者Sivaraman, J, Chua, T.K.
登録日2007-09-05
公開日2008-06-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Structure of Sucrose Phosphate Synthase from Halothermothrix orenii Reveals Its Mechanism of Action and Binding Mode
Plant Cell, 20, 2008
7Q3Z
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BU of 7q3z by Molmil
DNA/RNA binding protein
分子名称: SODIUM ION, Schlafen family member 5, ZINC ION
著者Huber, E, Lammens, K.
登録日2021-10-29
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and biochemical characterization of human Schlafen 5.
Nucleic Acids Res., 50, 2022
6EA2
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BU of 6ea2 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6h) and catalytic zinc ion
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-02
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
7Q26
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BU of 7q26 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013
分子名称: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
5DQD
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BU of 5dqd by Molmil
Structure of S55-5 Fab in complex with lipid A carbohydrate backbone
分子名称: 2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, S55-5 Fab (IgG1 kappa) light chain, ...
著者Haji-Ghassemi, O, Evans, S.V.
登録日2015-09-14
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Lipid A-antibody structures reveal a widely-utilized pocket specific for negatively charged groups derived from unrelated V-genes
J.Biol.Chem., 2015

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