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6QIO
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BU of 6qio by Molmil
Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the human growth hormone derivative somapacitan
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, CYSTEINE, ...
著者Johansson, E.
登録日2019-01-21
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of Binding Sites on Human Serum Albumin for Somapacitan, a Long-Acting Growth Hormone Derivative.
Biochemistry, 59, 2020
7PZN
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BU of 7pzn by Molmil
wt HBc capsid like particles in complex with inhibitory peptide SLLGRM and Triton X-100
分子名称: Capsid protein, FRAGMENT OF TRITON X-100, SLLGRM, ...
著者Makbul, C, Boettcher, B.
登録日2021-10-12
公開日2021-12-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Binding of a Pocket Factor to Hepatitis B Virus Capsids Changes the Rotamer Conformation of Phenylalanine 97.
Viruses, 13, 2021
7PA0
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BU of 7pa0 by Molmil
NaK C-DI F92A mutant with Rb+ and K+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-07-28
公開日2022-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7R1U
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BU of 7r1u by Molmil
Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor
分子名称: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M.
登録日2022-02-03
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16.
Protein Sci., 31, 2022
3SCV
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BU of 3scv by Molmil
Crystal Structure of Rice BGlu1 E386G/S334A Mutant Complexed with Cellotetraose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ...
著者Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R.
登録日2011-06-08
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases
to be published
2PGH
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BU of 2pgh by Molmil
STRUCTURE DETERMINATION OF AQUOMET PORCINE HEMOGLOBIN AT 2.8 ANGSTROM RESOLUTION
分子名称: HEMOGLOBIN (AQUO MET) (ALPHA CHAIN), HEMOGLOBIN (AQUO MET) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
著者Katz, D.S, White, S.P, Huang, W, Kumar, R, Christianson, D.W.
登録日1994-09-16
公開日1994-11-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure determination of aquomet porcine hemoglobin at 2.8 A resolution.
J.Mol.Biol., 244, 1994
1NHQ
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BU of 1nhq by Molmil
CRYSTALLOGRAPHIC ANALYSES OF NADH PEROXIDASE CYS42ALA AND CYS42SER MUTANTS: ACTIVE SITE STRUCTURE, MECHANISTIC IMPLICATIONS, AND AN UNUSUAL ENVIRONMENT OF ARG303
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION
著者Mande, S.S, Claiborne, A, Hol, W.G.J.
登録日1994-12-09
公開日1995-02-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic analyses of NADH peroxidase Cys42Ala and Cys42Ser mutants: active site structures, mechanistic implications, and an unusual environment of Arg 303.
Biochemistry, 34, 1995
7QZX
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BU of 7qzx by Molmil
Human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
分子名称: 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2022-02-01
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
7R1X
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human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
分子名称: 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2022-02-03
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
4KI2
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BU of 4ki2 by Molmil
Crystallographic analysis of an RNA-polymerase sigma-subunit fragment complexed with -10 promoter element ssDNA
分子名称: DNA (5'-D(*TP*GP*TP*AP*CP*AP*AP*TP*GP*GP*G)-3'), POTASSIUM ION, RNA polymerase sigma factor
著者Feklistov, A, Darst, S.A.
登録日2013-05-01
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystallographic analysis of an RNA polymerase sigma-subunit fragment complexed with -10 promoter element ssDNA: quadruplex formation as a possible tool for engineering crystal contacts in protein-ssDNA complexes.
Acta Crystallogr.,Sect.F, 69, 2013
6CNN
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BU of 6cnn by Molmil
Cryo-EM structure of the human SK4/calmodulin channel complex in the Ca2+ bound state I
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, Calmodulin-1, ...
著者Lee, C.H, MacKinnon, R.
登録日2018-03-08
公開日2018-05-02
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Activation mechanism of a human SK-calmodulin channel complex elucidated by cryo-EM structures.
Science, 360, 2018
1GT7
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BU of 1gt7 by Molmil
L-rhamnulose-1-phosphate aldolase from Escherichia coli
分子名称: PHOSPHOGLYCOLOHYDROXAMIC ACID, RHAMNULOSE-1-PHOSPHATE ALDOLASE, ZINC ION
著者Kroemer, M, Schulz, G.E.
登録日2002-01-14
公開日2002-05-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Structure of L-Rhamnulose-1-Phosphate Aldolase (Class II) Solved by Low-Resolution Sir Phasing and 20-Fold Ncs Averaging
Acta Crystallogr.,Sect.D, 58, 2002
3O8G
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BU of 3o8g by Molmil
EthR from Mycobacterium tuberculosis in complex with compound BDM14801
分子名称: 1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR
著者Willand, N, Desroses, M, Toto, P, Diri, B, Lens, Z, Villeret, V, Rucktooa, P, Locht, C, Baulard, A, Deprez, B.
登録日2010-08-03
公開日2010-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator.
Acs Chem.Biol., 5, 2010
6BRG
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BU of 6brg by Molmil
The SAM domain of mouse SAMHD1 is critical for its activation and regulation
分子名称: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION
著者Buzovetsky, O, Tang, C, Knecht, K.M, Antonucci, J.M, Wu, L, Ji, X, Xiong, Y.
登録日2017-11-30
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The SAM domain of mouse SAMHD1 is critical for its activation and regulation.
Nat Commun, 9, 2018
7M7I
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BU of 7m7i by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2 (TE-free)
分子名称: 1B2 (heavy chain), 1B2 (light chain), EryAI, ...
著者Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
登録日2021-03-28
公開日2021-11-17
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
5HV8
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BU of 5hv8 by Molmil
Solution structure of an octanoyl- loaded acyl carrier protein domain from module MLSA2 of the mycolactone polyketide synthase.
分子名称: S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate, Type I modular polyketide synthase
著者Vance, S, Tkachenko, O, Thomas, B, Bassuni, M, Hong, H, Nietlispach, D, Broadhurst, R.W.
登録日2016-01-28
公開日2016-03-09
最終更新日2019-10-23
実験手法SOLUTION NMR
主引用文献Sticky swinging arm dynamics: studies of an acyl carrier protein domain from the mycolactone polyketide synthase.
Biochem.J., 473, 2016
7M7J
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BU of 7m7j by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: "turnstile closed" state (TE-free)
分子名称: 1B2 (heavy chain), 1B2 (light chain), EryAI
著者Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
登録日2021-03-28
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
6DHZ
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BU of 6dhz by Molmil
Crystallographic octamer of a metal-free RIDC1 variant bearing two disulfide bonded cysteines
分子名称: CALCIUM ION, HEME C, Soluble cytochrome b562
著者Tezcan, F.A, Churchfield, L.A.
登録日2018-05-21
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Determining the Structural and Energetic Basis of Allostery in a De Novo Designed Metalloprotein Assembly.
J. Am. Chem. Soc., 140, 2018
4MO7
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BU of 4mo7 by Molmil
Crystal structure of superantigen PfiT
分子名称: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Transcriptional regulator I2
著者Liu, L.H, Chen, H, Li, H.M.
登録日2013-09-11
公開日2014-02-05
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
5VSW
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BU of 5vsw by Molmil
X-ray crystal structure of Escherichia coli RNA polymerase and DksA/ppGpp complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Murakami, K.S, Molodtsov, V.
登録日2017-05-12
公開日2017-06-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (4.295 Å)
主引用文献Allosteric Effector ppGpp Potentiates the Inhibition of Transcript Initiation by DksA.
Mol. Cell, 69, 2018
5V7I
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BU of 5v7i by Molmil
Crystal structure of homo sapiens serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), in complex with glycine, PLP and folate-competitive pyrazolopyran inhibitor: 6-amino-4-isopropyl-3-methyl-4-(3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
分子名称: (4R)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ducker, G.S, Ghergurovich, J.M, Mainolfi, N, Suri, V, Jeong, S, Friedman, A, Manfredi, M, Kim, H, Rabinowitz, J.D.
登録日2017-03-20
公開日2017-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Human SHMT inhibitors reveal defective glycine import as a targetable metabolic vulnerability of diffuse large B-cell lymphoma.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3N75
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BU of 3n75 by Molmil
X-ray Crystal Structure of the Escherichia coli Inducible Lysine Decarboxylase LdcI
分子名称: GLYCEROL, GUANOSINE-5',3'-TETRAPHOSPHATE, HEXAETHYLENE GLYCOL, ...
著者Kanjee, U, Alexopoulos, E, Pai, E.F, Houry, W.A.
登録日2010-05-26
公開日2011-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase.
Embo J., 30, 2011
6DMC
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BU of 6dmc by Molmil
ppGpp Riboswitch bound to ppGpp, native structure
分子名称: GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ...
著者Peselis, A, Serganov, A.
登録日2018-06-04
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands.
Nat. Chem. Biol., 14, 2018
6D7R
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BU of 6d7r by Molmil
Crystal structure of an inactivate variant of the quorum-sensing master regulator HapR from protease-deficient non-O1, non-O139 Vibrio cholerae strain V2
分子名称: Hemagglutinin/protease regulatory protein
著者Cruite, J.T, Succo, P, Raychaudhuri, S, Kull, F.J.
登録日2018-04-25
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of an inactive variant of the quorum-sensing master regulator HapR from the protease-deficient non-O1, non-O139 Vibrio cholerae strain V2.
Acta Crystallogr F Struct Biol Commun, 74, 2018
3H1R
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BU of 3h1r by Molmil
Order-disorder structure of fluorescent protein FP480
分子名称: Fluorescent protein FP480
著者Pletnev, S, Morozova, K.S, Verkhusha, V.V, Dauter, Z.
登録日2009-04-13
公開日2009-09-08
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Rotational order-disorder structure of fluorescent protein FP480
Acta Crystallogr.,Sect.D, 65, 2009

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