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5L4Y
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Crystal structure of FimH lectin domain in complex with 4-Fluoro-Heptylmannoside
分子名称: Protein FimH, heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside
著者Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B.
登録日2016-05-26
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
7QDR
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BU of 7qdr by Molmil
Apo human SKI complex in the closed state
分子名称: Helicase SKI2W, Tetratricopeptide repeat protein 37, WD repeat-containing protein 61
著者Koegel, A, Keidel, A, Bonneau, F, Schaefer, I.B, Conti, E.
登録日2021-11-29
公開日2022-02-02
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The human SKI complex regulates channeling of ribosome-bound RNA to the exosome via an intrinsic gatekeeping mechanism.
Mol.Cell, 82, 2022
7QDS
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BU of 7qds by Molmil
Apo human SKI complex in the open state
分子名称: Helicase SKI2W, Tetratricopeptide repeat protein 37, WD repeat-containing protein 61
著者Koegel, A, Keidel, A, Bonneau, A, Schaefer, I.B, Conti, E.
登録日2021-11-30
公開日2022-02-02
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献The human SKI complex regulates channeling of ribosome-bound RNA to the exosome via an intrinsic gatekeeping mechanism.
Mol.Cell, 82, 2022
5VGZ
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BU of 5vgz by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
著者Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
登録日2017-04-12
公開日2017-08-23
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
7QGP
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BU of 7qgp by Molmil
STK10 (LOK) bound to Macrocycle CKJB51
分子名称: 1,2-ETHANEDIOL, 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea, CHLORIDE ION, ...
著者Berger, B.-T, Schroeder, M, Kraemer, A, Schwalm, M.P, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-12-09
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献STK10 bound to CKJB51
To Be Published
5ITD
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BU of 5itd by Molmil
Crystal structure of PI3K alpha with PI3K delta inhibitor
分子名称: 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Elling, R.A.
登録日2016-03-16
公開日2016-09-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
6P04
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BU of 6p04 by Molmil
Binary structure of the E52D mutant of ANT-4'' with Neomycin
分子名称: Kanamycin nucleotidyltransferase, MAGNESIUM ION, NEOMYCIN
著者Selvaraj, B, Cuneo, M.J.
登録日2019-05-16
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献"Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 10, 2020
5I34
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BU of 5i34 by Molmil
Adenylosuccinate synthetase from Cryptococcus neoformans complexed with GDP and IMP
分子名称: Adenylosuccinate synthetase, GUANOSINE-5'-DIPHOSPHATE, INOSINIC ACID
著者Blundell, R.D, Williams, S.J, Ericsson, D, Fraser, J.A, Kobe, B.
登録日2016-02-09
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Disruption of de Novo Adenosine Triphosphate (ATP) Biosynthesis Abolishes Virulence in Cryptococcus neoformans.
Acs Infect Dis., 2, 2016
6YPX
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BU of 6ypx by Molmil
Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 2.11 A in C2221 space group
分子名称: CACODYLATE ION, GLYCEROL, Histidine triad nucleotide-binding protein 2, ...
著者Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C.
登録日2020-04-16
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
7QID
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BU of 7qid by Molmil
tentative model of the human insulin receptor ectodomain bound by three insulin
分子名称: Insulin, Insulin receptor, Isoform Short of Insulin receptor
著者Gutman, T, Schaefer, I.B, Poojari, C.S, Vattulainen, I, Strauss, M, Coskun, U.
登録日2021-12-14
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Cryo-EM structure of the complete and ligand-saturated insulin receptor ectodomain
J Cell Biol, 219, 2020
6AQ4
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BU of 6aq4 by Molmil
CRYSTAL STRUCTURE OF PROTEIN CiTE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND CITRAMALYL-COA
分子名称: CHLORIDE ION, Citramalyl-CoA, Citrate lyase subunit beta-like protein, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2017-08-18
公開日2018-08-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
8RUM
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BU of 8rum by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and intronistat B
分子名称: Domains 1-5, MAGNESIUM ION, ~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide
著者Silvestri, I, Marcia, M.
登録日2024-01-31
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
5I86
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BU of 5i86 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174
分子名称: (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
7QDY
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BU of 7qdy by Molmil
RNA-bound human SKI complex
分子名称: Helicase SKI2W, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3'), Tetratricopeptide repeat protein 37, ...
著者Koegel, A, Keidel, A, Bonneau, F, Schaefer, I.B, Conti, E.
登録日2021-12-01
公開日2022-02-09
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The human SKI complex regulates channeling of ribosome-bound RNA to the exosome via an intrinsic gatekeeping mechanism.
Mol.Cell, 82, 2022
6YQM
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BU of 6yqm by Molmil
Human histidine triad nucleotide-binding protein 1 (hHINT1) complexed with dGMP and refined to 1.02 A
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Histidine triad nucleotide-binding protein 1
著者Dolot, R.D, Seda, A, Nawrot, B.C.
登録日2020-04-17
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
5IBR
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BU of 5ibr by Molmil
Caspase 3 V266K
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-22
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5ID9
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BU of 5id9 by Molmil
Crystal structure of equine serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
分子名称: (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, FORMIC ACID, MALONATE ION, ...
著者Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G.
登録日2016-02-24
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016
6MAC
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BU of 6mac by Molmil
Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 11, ...
著者Goebel, E.J, Thompson, T.B.
登録日2018-08-27
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural characterization of an activin class ternary receptor complex reveals a third paradigm for receptor specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
5IFH
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BU of 5ifh by Molmil
Crystal structure of the BCR Fab fragment from subset #2 case P11475
分子名称: Heavy chain of the Fab fragment from BCR derived from the P11475 CLL clone, Light chain of the Fab fragment from BCR derived from the P11475 CLL clone
著者Minici, C, Degano, M.
登録日2016-02-26
公開日2017-03-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献Distinct homotypic B-cell receptor interactions shape the outcome of chronic lymphocytic leukaemia.
Nat Commun, 8, 2017
8HYB
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BU of 8hyb by Molmil
Crystal structure of B1 IMP-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
分子名称: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-06
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.193 Å)
主引用文献2-Aminothiazole-4-carboxylic acids as cross-class metallo-beta-lactamase inhibitors by mimicking beta-lactam hydrolysate binding
To Be Published
6YPR
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BU of 6ypr by Molmil
Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 1.26 A in H32 space group
分子名称: GLYCEROL, Histidine triad nucleotide-binding protein 2, mitochondrial
著者Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C.
登録日2020-04-16
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
6PAS
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BU of 6pas by Molmil
Inactive State of Manduca sexta soluble guanylate cyclase
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble guanylyl cyclase alpha-1 subunit, Soluble guanylyl cyclase beta-1 subunit
著者Yokom, A.L, Horst, B.G, Marletta, M.A, Hurley, J.H.
登録日2019-06-11
公開日2019-10-23
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Allosteric activation of the nitric oxide receptor soluble guanylate cyclase mapped by cryo-electron microscopy.
Elife, 8, 2019
6AZX
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BU of 6azx by Molmil
Crystal structure of the neutralizing anti-circumsporozoite protein 663 antibody
分子名称: 663 antibody, heavy chain, light chain
著者Scally, S.W, Bosch, A, Triller, G, Wardemann, H, Julien, J.P.
登録日2017-09-13
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies.
Immunity, 47, 2017
1BMK
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BU of 1bmk by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB218655
分子名称: 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE, PROTEIN (MAP KINASE P38)
著者Wang, Z, Canagarajah, B, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J.
登録日1998-07-23
公開日1999-07-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
5F13
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BU of 5f13 by Molmil
Structure of Mn bound DUF89 from Saccharomyces cerevisiae
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MANGANESE (II) ION, ...
著者Nocek, B, Skarina, T, Joachimiak, A, Savchenko, A, Yakunin, A.
登録日2015-11-30
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献A family of metal-dependent phosphatases implicated in metabolite damage-control.
Nat.Chem.Biol., 12, 2016

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件を2024-08-21に公開中

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