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4YMT
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BU of 4ymt by Molmil
Crystal structure of an amino acid ABC transporter complex with arginines
分子名称: ABC-type amino acid transport system, permease component, ABC-type polar amino acid transport system, ...
著者Ge, J, Yu, J, Yang, M.
登録日2015-03-07
公開日2015-04-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Structural basis for substrate specificity of an amino acid ABC transporter
Proc.Natl.Acad.Sci.USA, 112, 2015
5H55
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BU of 5h55 by Molmil
Mdm12 from K. lactis
分子名称: Mitochondrial distribution and morphology protein 12
著者Kawano, S, Quinbara, S.
登録日2016-11-04
公開日2017-11-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
7BR2
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BU of 7br2 by Molmil
BT4096 a gut microbial diltiazem-metabolizing enzyme
分子名称: Lipolytic enzyme, G-D-S-L family
著者Ko, T.-P, Chen, C.-C, Guo, R.-T.
登録日2020-03-26
公開日2020-05-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure of a gut microbial diltiazem-metabolizing enzyme suggests possible substrate binding mode.
Biochem.Biophys.Res.Commun., 527, 2020
5NN1
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BU of 5nn1 by Molmil
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1)
分子名称: Serine/threonine-protein kinase PLK1
著者Kunciw, D.L, Rossmann, M, De Fusco, C, Spring, D.R, Hyvonen, M.
登録日2017-04-07
公開日2018-02-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.785 Å)
主引用文献Developing peptidic inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
To Be Published
6TII
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BU of 6tii by Molmil
Crystal structure of penicillin-binding protein 2 from Yersinia pestis
分子名称: BROMIDE ION, Peptidoglycan D,D-transpeptidase MrdA
著者Pankov, G, Hunter, W.N, Dawson, A.
登録日2019-11-22
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献The structure of penicillin-binding protein 2 from Yersinia pestis
To Be Published
5FZ5
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BU of 5fz5 by Molmil
Transcription initiation complex structures elucidate DNA opening (CC)
分子名称: DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ...
著者Plaschka, C, Hantsche, M, Dienemann, C, Burzinski, C, Plitzko, J, Cramer, P.
登録日2016-03-10
公開日2016-05-18
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8.8 Å)
主引用文献Transcription Initiation Complex Structures Elucidate DNA Opening
Nature, 533, 2016
5NBE
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BU of 5nbe by Molmil
[Ru(TAP)2(dppz-11-CN)]2+ bound to d(TCGGCGCCGA)2
分子名称: BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), lambda-[Ru(tap2-dppz-CN)]2+
著者McQuaid, K.T, Hall, J.P, Cardin, C.J.
登録日2017-03-01
公開日2018-03-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献X-ray Crystal Structures Show DNA Stacking Advantage of Terminal Nitrile Substitution in Ru-dppz Complexes.
Chemistry, 24, 2018
5FUE
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BU of 5fue by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with 3- benzamido-benzohydroxamate
分子名称: 3-(benzoylamino)-N-oxobenzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Marek, M, Romier, C.
登録日2016-01-26
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Structure-Based Design and Synthesis of Novel Inhibitors Targeting Hdac8 from Schistosoma Mansoni for the Treatment of Schistosomiasis.
J.Med.Chem., 59, 2016
4ZIY
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BU of 4ziy by Molmil
Structure of UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanyl ligase from Acinetobacter baumannii
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-04-28
公開日2015-05-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanyl ligase from Acinetobacter baumannii
to be published
4ZM4
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BU of 4zm4 by Molmil
Complex structure of PctV K276R mutant with PMP and 3-dehydroshkimate
分子名称: (3E,4R,5R)-4,5-dihydroxy-3-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid, Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Hirayama, A, Miyanaga, A, Kudo, F, Eguchi, T.
登録日2015-05-02
公開日2015-10-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism-Based Trapping of the Quinonoid Intermediate by Using the K276R Mutant of PLP-Dependent 3-Aminobenzoate Synthase PctV in the Biosynthesis of Pactamycin.
Chembiochem, 16, 2015
5NM6
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BU of 5nm6 by Molmil
Chicken GRIFIN (crystallisation pH: 4.6)
分子名称: Galectin
著者Ruiz, F.M, Romero, A.
登録日2017-04-05
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.458 Å)
主引用文献Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
6HPH
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BU of 6hph by Molmil
Crystal structure of human Pif1 helicase in complex with AMP-PNP
分子名称: ATP-dependent DNA helicase PIF1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Levdikov, V.M, Dehghani-Tafti, S, Bax, B.D, Sanders, C.M, Antson, A.A.
登録日2018-09-20
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase.
Nucleic Acids Res., 47, 2019
6T2L
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BU of 6t2l by Molmil
Streptavidin variants harbouring an artificial organocatalyst based cofactor
分子名称: 1,2-ETHANEDIOL, 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, GLYCEROL, ...
著者Lechner, H, Hocker, B.
登録日2019-10-09
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Chembiochem, 22, 2021
5NMR
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BU of 5nmr by Molmil
Monomeric mouse Sortilin extracellular domain
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, CALCIUM ION, ...
著者Leloup, N.O.L, Loessl, P, Meijer, D.H.M, Heck, A.J.R, Thies-Weesie, D.M.E, Janssen, B.J.C.
登録日2017-04-07
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
5NMZ
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BU of 5nmz by Molmil
human Neurturin (97-197)
分子名称: GLYCEROL, Neurturin
著者Bigalke, J.M, Sandmark, J, Roth, R.
登録日2017-04-07
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
6HPV
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BU of 6hpv by Molmil
Crystal structure of mouse fetuin-B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B
著者Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L.
登録日2018-09-22
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
5FK2
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BU of 5fk2 by Molmil
SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is GG
分子名称: BARIUM ION, S-ADENOSYLMETHIONINE, SAM-I RIBOSWITCH
著者Huang, L, Lilley, D.M.J.
登録日2015-10-14
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Nucleic Acids Res., 44, 2016
6T5W
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BU of 6t5w by Molmil
Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine Derivative (cocrystallizaton at 291 K)
分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin, ...
著者Ngo, K, Heine, A, Klebe, G.
登録日2019-10-17
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
5N48
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BU of 5n48 by Molmil
Structure of Anticalin N9B in complex with extra-domain B of human oncofetal fibronectin
分子名称: Fibronectin, Neutrophil gelatinase-associated lipocalin
著者Schiefner, A, Skerra, A.
登録日2017-02-10
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Anticalins Reveal High Plasticity in the Mode of Complex Formation with a Common Tumor Antigen.
Structure, 26, 2018
6HAL
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BU of 6hal by Molmil
Human carbonmonoxy hemoglobin SFX dataset
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I.
登録日2018-08-07
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
4Z53
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BU of 4z53 by Molmil
Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
分子名称: DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, E-site DNA, MAGNESIUM ION, ...
著者Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
登録日2015-04-02
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
6JDR
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BU of 6jdr by Molmil
Crystal structure of methylated PRRSV nsp10 (helicase)
分子名称: PP1b, SULFATE ION, ZINC ION
著者Deng, Z, Tang, C, Chen, Z.
登録日2019-02-02
公開日2020-02-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
5NC9
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BU of 5nc9 by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2,6-diamino-N-hydroxyhexanamide
分子名称: (2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者Giastas, P, Andreou, A, Eliopoulos, E.E.
登録日2017-03-03
公開日2018-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
6TAN
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BU of 6tan by Molmil
X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17)
分子名称: 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Hillig, R.C, Eis, K, Badock, V.
登録日2019-10-30
公開日2020-04-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C.
Chemmedchem, 15, 2020
6TOL
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BU of 6tol by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 25a
分子名称: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein, ...
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020

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件を2024-08-28に公開中

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