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4QN9
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BU of 4qn9 by Molmil
Structure of human NAPE-PLD
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D, ...
著者Garau, G.
登録日2014-06-17
公開日2015-06-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.652 Å)
主引用文献Structure of human N-acylphosphatidylethanolamine-hydrolyzing phospholipase D: regulation of fatty acid ethanolamide biosynthesis by bile acids.
Structure, 23, 2015
6DFF
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BU of 6dff by Molmil
Structure of the cargo bound AP-1:Arf1:tetherin-Nef monomer
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Morris, K.L, Buffalo, C.Z, Ren, X, Hurley, J.H.
登録日2018-05-14
公開日2018-08-08
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation.
Cell, 174, 2018
6UNR
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BU of 6unr by Molmil
Kinase domain of ALK2-K492A/K493A with AMPPNP
分子名称: Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Agnew, C, Jura, N.
登録日2019-10-13
公開日2021-07-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
7QBO
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BU of 7qbo by Molmil
Structure of the activation intermediate of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303
分子名称: (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Benysek, J, Busa, M, Mares, M.
登録日2021-11-19
公開日2022-01-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes.
J Enzyme Inhib Med Chem, 37, 2022
6UNP
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BU of 6unp by Molmil
Crystal structure of the kinase domain of BMPR2-D485G
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ...
著者Agnew, C, Jura, N.
登録日2019-10-13
公開日2021-07-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
7QGL
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BU of 7qgl by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-08
公開日2022-02-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
6DT0
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BU of 6dt0 by Molmil
Cryo-EM structure of a mitochondrial calcium uniporter
分子名称: CALCIUM ION, Mitochondrial calcium uniporter
著者Yoo, J, Wu, M, Yin, Y, Herzik, M.A.J, Lander, G.C, Lee, S.-Y.
登録日2018-06-14
公開日2018-07-11
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of a mitochondrial calcium uniporter.
Science, 361, 2018
4IIR
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BU of 4iir by Molmil
Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-20
公開日2013-08-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
6DIG
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BU of 6dig by Molmil
Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide
分子名称: 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W.
登録日2018-05-23
公開日2019-05-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls.
Nat Commun, 10, 2019
5A52
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BU of 5a52 by Molmil
The crystal structure of Arabidopsis thaliana CAR1 in complex with one calcium ion
分子名称: CALCIUM ION, CALCIUM-DEPENDENT LIPID-BINDING DOMAIN-CONTAINING PROTEIN, GLYCEROL, ...
著者Fernandez, D, Marquez, J.A.
登録日2015-06-16
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
4ZS3
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BU of 4zs3 by Molmil
Structural complex of 5-aminofluorescein bound to the FTO protein
分子名称: 2-OXOGLUTARIC ACID, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ...
著者Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X.
登録日2015-05-13
公開日2015-11-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein
J.Am.Chem.Soc., 137, 2015
7QGO
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BU of 7qgo by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Strater, N.
登録日2021-12-09
公開日2022-02-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
6DJD
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BU of 6djd by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak)
分子名称: 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 2019
4ICU
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BU of 4icu by Molmil
Ubiquitin-like domain of human tubulin folding cofactor E - crystal from A
分子名称: Tubulin-specific chaperone E
著者Janowski, R, Boutin, M, Zabala, J.C, Coll, M.
登録日2012-12-11
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of the complex between alpha-tubulin, TBCE and TBCB reveals a tubulin dimer dissociation mechanism.
J.Cell.Sci., 128, 2015
7QGA
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BU of 7qga by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-07
公開日2022-02-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
4QK3
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BU of 4qk3 by Molmil
Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - [delta]230-240
分子名称: Carbonic anhydrase 2, ZINC ION
著者Boone, C.D, Rasi, V, McKenna, R.
登録日2014-06-05
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.345 Å)
主引用文献Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
6D5P
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BU of 6d5p by Molmil
Hexagonal thermolysin cryocooled to 100 K with 20% xylose as cryoprotectant
分子名称: CALCIUM ION, LYSINE, Thermolysin, ...
著者Juers, D.H.
登録日2018-04-19
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.00010872 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
4QOT
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BU of 4qot by Molmil
Crystal structure of human copper chaperone bound to the platinum ion
分子名称: Copper transport protein ATOX1, PLATINUM (II) ION, SULFATE ION
著者Belviso, B.D, Galliani, A, Caliandro, R, Arnesano, F, Natile, G.
登録日2014-06-20
公開日2015-06-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Oxaliplatin Binding to Human Copper Chaperone Atox1 and Protein Dimerization
Inorg.Chem., 55, 2016
4R3O
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BU of 4r3o by Molmil
Human Constitutive 20S Proteasome
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Sacchettini, J.C, Harshbarger, W.H.
登録日2014-08-16
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Structure, 23, 2015
5AKL
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BU of 5akl by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-03
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
6DRD
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BU of 6drd by Molmil
RNA Pol II(G)
分子名称: DNA-directed RNA polymerase II subunit GRINL1A, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11-a, ...
著者Yu, X, Jishage, M, Shi, Y, Ganesan, S, Sali, A, Chait, B.T, Asturias, F, Roeder, R.G.
登録日2018-06-11
公開日2018-10-17
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Architecture of Pol II(G) and molecular mechanism of transcription regulation by Gdown1.
Nat. Struct. Mol. Biol., 25, 2018
6UT6
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BU of 6ut6 by Molmil
Cryo-EM structure of the Escherichia coli McrBC complex
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, 5-methylcytosine-specific restriction enzyme B, GUANOSINE-5'-DIPHOSPHATE, ...
著者Niu, Y, Suzuki, H, Hosford, C.J, Chappie, J.S, Walz, T.
登録日2019-10-29
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structural asymmetry governs the assembly and GTPase activity of McrBC restriction complexes.
Nat Commun, 11, 2020
6UQC
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BU of 6uqc by Molmil
Mouse IgG2a Bispecific Fc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, F, Tsai, J.C, Davis, J.H, West, S.M, Strop, P.
登録日2019-10-18
公開日2020-01-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Design and characterization of mouse IgG1 and IgG2a bispecific antibodies for use in syngeneic models.
Mabs, 12, 2019
4RB2
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BU of 4rb2 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 SeMet-Fur-Mn2+-feoAB1 operator
分子名称: DNA (25-MER), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
5A53
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BU of 5a53 by Molmil
Crystal Structure of the Rpf2-Rrs1 complex
分子名称: REGULATOR OF RIBOSOME BIOSYNTHESIS, RIBOSOME BIOGENESIS PROTEIN RPF2, SULFATE ION
著者Madru, C, Lebaron, S, Blaud, M, Delbos, L, Rety, S, Leulliot, N.
登録日2015-06-16
公開日2015-10-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Chaperoning 5S RNA Assembly.
Genes Dev., 29, 2015

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