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6D51
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Crystal structure of L,D-transpeptidase 3 from Mycobacterium tuberculosis in complex with a faropenem-derived adduct
分子名称: ACETYL GROUP, CALCIUM ION, Probable L,D-transpeptidase 3
著者Libreros, G.A, Dias, M.V.B.
登録日2018-04-19
公開日2019-02-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis.
ACS Infect Dis, 5, 2019
4V8V
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Structure and conformational variability of the Mycobacterium tuberculosis fatty acid synthase multienzyme complex
分子名称: FLAVIN MONONUCLEOTIDE, TYPE-I FATTY ACID SYNTHASE
著者Ciccarelli, L, Connell, S.R, Enderle, M, Mills, D.J, Vonck, J, Grininger, M.
登録日2013-04-18
公開日2014-07-09
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (20 Å)
主引用文献Structure and Conformational Variability of the Mycobacterium Tuberculosis Fatty Acid Synthase Multienzyme Complex.
Structure, 21, 2013
6Q6M
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RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
著者Kallen, J.
登録日2018-12-11
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
2FOZ
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BU of 2foz by Molmil
human ADP-ribosylhydrolase 3
分子名称: ADP-ribosylhydrolase like 2, MAGNESIUM ION
著者Mueller-Dieckmann, C, Weiss, M.S, Koch-Nolte, F.
登録日2006-01-15
公開日2006-10-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure of human ADP-ribosylhydrolase 3 (ARH3) provides insights into the reversibility of protein ADP-ribosylation.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6ZIS
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Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor
分子名称: Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, TETRAETHYLENE GLYCOL, ...
著者Southall, S.M.
登録日2020-06-26
公開日2020-07-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
4V58
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Crystal structure of fatty acid synthase from thermomyces lanuginosus at 3.1 angstrom resolution.
分子名称: FATTY ACID SYNTHASE ALPHA SUBUNITS, FATTY ACID SYNTHASE BETA SUBUNITS, FLAVIN MONONUCLEOTIDE
著者Jenni, S, Leibundgut, M, Boehringer, D, Frick, C, Mikolasek, B, Ban, N.
登録日2007-03-09
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of Fungal Fatty Acid Synthase and Implications for Iterative Substrate Shuttling
Science, 316, 2007
5VG9
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Structure of the eukaryotic intramembrane Ras methyltransferase ICMT (isoprenylcysteine carboxyl methyltransferase) without a monobody
分子名称: Protein-S-isoprenylcysteine O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Long, S.B, Diver, M.M, Pedi, L, Koide, A, Koide, S.
登録日2017-04-10
公開日2018-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Atomic structure of the eukaryotic intramembrane RAS methyltransferase ICMT.
Nature, 553, 2018
4V6M
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Structure of the ribosome-SecYE complex in the membrane environment
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 16S RIBOSOMAL RNA, ...
著者Frauenfeld, J, Gumbart, J, van der Sluis, E.O, Funes, S, Gartmann, M, Beatrix, B, Mielke, T, Berninghausen, O, Becker, T, Schulten, K, Beckmann, R.
登録日2011-02-08
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Cryo-EM structure of the ribosome-SecYE complex in the membrane environment.
Nat.Struct.Mol.Biol., 18, 2011
4V8R
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The crystal structures of the eukaryotic chaperonin CCT reveal its functional partitioning
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Kalisman, N, Schroder, G.F, Levitt, M.
登録日2012-03-28
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献The Crystal Structures of the Eukaryotic Chaperonin Cct Reveal its Functional Partitioning
Structure, 21, 2013
4V8Y
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Cryo-EM reconstruction of the 80S-eIF5B-Met-itRNAMet Eukaryotic Translation Initiation Complex
分子名称: 18S RIBOSOMAL RNA, 25S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN S0-A, ...
著者Fernandez, I.S, Bai, X.C, Hussain, T, Kelley, A.C, Lorsch, J.R, Ramakrishnan, V, Scheres, S.H.W.
登録日2013-07-20
公開日2014-07-09
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Molecular architecture of a eukaryotic translational initiation complex.
Science, 342, 2013
5VHW
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GluA2-0xGSG1L bound to ZK
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Germ cell-specific gene 1-like protein, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
著者Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
登録日2017-04-13
公開日2017-05-03
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Structural Bases of Desensitization in AMPA Receptor-Auxiliary Subunit Complexes.
Neuron, 94, 2017
4UZN
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BU of 4uzn by Molmil
The native structure of the family 46 carbohydrate-binding module (CBM46) of endo-beta-1,4-glucanase B (Cel5B) from Bacillus halodurans
分子名称: ENDO-BETA-1,4-GLUCANASE (CELULASE B)
著者Venditto, I, Santos, H, Ferreira, L.M.A, Sakka, K, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-05
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Family 46 Carbohydrate-Binding Modules Contribute to the Enzymatic Hydrolysis of Xyloglucan and Beta-1,3-1,4-Glucans Through Distinct Mechanisms.
J.Biol.Chem., 290, 2015
4W4G
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BU of 4w4g by Molmil
Postcleavage state of 70S bound to HigB toxin and AAA (lysine) codon
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Schureck, M.A, Maehigashi, T, Dunkle, J.A, Dunham, C.M.
登録日2014-08-14
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Defining the mRNA recognition signature of a bacterial toxin protein.
Proc.Natl.Acad.Sci.USA, 112, 2015
6D9D
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BU of 6d9d by Molmil
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-GlcNAc (open, oxidized)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, SODIUM ION, ...
著者Wangkanont, K, Kiessling, L.L, Forest, K.T.
登録日2018-04-28
公開日2019-05-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6QKJ
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EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase in complex with N,N,N-trimethyl-histidine
分子名称: CHLORIDE ION, FE (III) ION, IMIDAZOLE, ...
著者Stampfli, A.R, Badri, B.N, Schirmer, T, Seebeck, F.P.
登録日2019-01-29
公開日2019-03-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An Alternative Active Site Architecture for O2Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum.
J.Am.Chem.Soc., 141, 2019
3GV5
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BU of 3gv5 by Molmil
Human DNA polymerase iota in complex with T template DNA and incoming ddADP
分子名称: 2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATE, 5'-D(*GP*TP*GP*GP*AP*TP*GP*AP*G)-3', 5'-D(P*CP*AP*TP*TP*CP*TP*CP*AP*TP*CP*CP*AP*C)-3', ...
著者Kirouac, K.N, Ling, H.
登録日2009-03-30
公開日2009-06-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of error-prone replication and stalling at a thymine base by human DNA polymerase iota
Embo J., 28, 2009
7QLS
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BU of 7qls by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND DIMETHOXYPHENYL ACETAMIDE
分子名称: 2-(3,4-dimethoxyphenyl)ethanamide, ADENOSINE-5-DIPHOSPHORIBOSE, FE (III) ION, ...
著者Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023
7QNH
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CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND GLYCEROL
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE (III) ION, GLYCEROL, ...
著者Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023
7QLQ
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CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD, AND DIMETHOXYPHENYL ACETAMIDE
分子名称: 2-(3,4-dimethoxyphenyl)ethanamide, ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, ...
著者Sridhar, S, Kiema, T.R, Widersten, M, Wierenga, R.K.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023
4V27
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Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine
分子名称: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ...
著者Hakki, Z, Bellmaine, S, Thompson, A.J, Speciale, G, Davies, G.J, Williams, S.J.
登録日2014-10-07
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Kinetic Dissection of the Endo-Alpha-1,2-Mannanase Activity of Bacterial Gh99 Glycoside Hydrolases from Bacteroides Spp.
Chemistry, 21, 2015
7QLG
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CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT L259V COMPLEXED WITH FE, NADH, AND GLYCEROL
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE (III) ION, GLYCEROL, ...
著者Sridhar, S, Kiema, T.R, Widertsen, M, Wierenga, R.K.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023
5VV3
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Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile
分子名称: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2017-05-19
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
6ZHO
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BU of 6zho by Molmil
Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor
分子名称: Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Southall, S.M.
登録日2020-06-23
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
6ZAZ
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Fructo-oligosaccharide transporter BT 1762-63
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CHLORIDE ION, MAGNESIUM ION, ...
著者van den Berg, B.
登録日2020-06-06
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6QFH
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Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK144.
分子名称: 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019

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