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PDB: 89346 件

3L8Q
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Structure analysis of the type II cohesin dyad from the adaptor ScaA scaffoldin of Acetivibrio cellulolyticus
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, Cellulosomal scaffoldin adaptor protein B, ...
著者Noach, I, Frolow, F, Bayer, E.A.
登録日2010-01-03
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Modular Arrangement of a Cellulosomal Scaffoldin Subunit Revealed from the Crystal Structure of a Cohesin Dyad
J.Mol.Biol., 399, 2010
6EBZ
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Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Activated Form with Thiocyanate Bound
分子名称: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
著者Palowitch, G.M, Boal, A.K.
登録日2018-08-07
公開日2018-09-19
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6X63
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Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR
分子名称: HIV-1 capsid protein
著者Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T.
登録日2020-05-27
公開日2020-09-02
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR.
Nat.Struct.Mol.Biol., 27, 2020
4RFZ
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Crystal structure of BTK kinase domain complexed with 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]isoquinolin-1-one
分子名称: 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2014-09-29
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.
Bioorg.Med.Chem.Lett., 25, 2015
4RGC
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277K Crystal structure of Escherichia Coli dihydrofolate reductase
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Wilson, M.A, Wan, Q, Bennett, B.C, Dealwis, C.
登録日2014-09-29
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
8BK0
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BU of 8bk0 by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide
著者Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
登録日2022-11-08
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904
To Be Published
5MFI
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Designed armadillo repeat protein YIII(Dq.V2)4CqI in complex with peptide (KR)4
分子名称: (KR)4, YIII(Dq.V2)4CqI
著者Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A.
登録日2016-11-18
公開日2017-09-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Curvature of designed armadillo repeat proteins allows modular peptide binding.
J. Struct. Biol., 201, 2018
6PHN
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Crystal structure of glucagon analog composed of D-amino acids with mono-stereoinversion at position 23 (L-Val23) in space group I41 at 1.33 A resolution
分子名称: D-glucagon L-Val23, SODIUM ION
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
7A8Y
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X-ray crystal structure of Aspartate alpha-decarboxylase in complex with D-Serine
分子名称: 1,2-ETHANEDIOL, Aspartate 1-decarboxylase, D-SERINE, ...
著者Yorke, B.A, Raskar, T.
登録日2020-08-31
公開日2021-10-06
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and diffusive dynamics of aspartate alpha-decarboxylase (ADC) liganded with D-serine in aqueous solution.
Phys Chem Chem Phys, 2022
5MFK
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Designed armadillo repeat protein YIII(Dq.V1)4CPAF in complex with peptide (KR)4
分子名称: (KR)4, YIII(Dq.V1)4CPAF
著者Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A.
登録日2016-11-18
公開日2017-09-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Curvature of designed armadillo repeat proteins allows modular peptide binding.
J. Struct. Biol., 201, 2018
6VDL
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BU of 6vdl by Molmil
HCV NS3/4A protease A156T mutant in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, GLYCEROL, ...
著者Timm, J, Schiffer, C.A.
登録日2019-12-27
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献RAS at position 156 of HCV NS3/4A protease abolish inhibition by current HCV drugs
To Be Published
4R2X
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BU of 4r2x by Molmil
Unique conformation of uridine and asymmetry of the hexameric molecule revealed in the high-resolution structures of Shewanella oneidensis uridine phosphorylase in the free form and in complex with uridine
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Safonova, T.N, Mordkovich, N.N, Manuvera, V.A, Veiko, V.P, Popov, V.O, Polyakov, K.M.
登録日2014-08-13
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献High-syn conformation of uridine and asymmetry of the hexameric molecule revealed in the high-resolution structures of Shewanella oneidensis MR-1 uridine phosphorylase in the free form and in complex with uridine.
Acta Crystallogr.,Sect.D, 70, 2014
6S1J
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BU of 6s1j by Molmil
Crystal Structure of DYRK1A with small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine, DIMETHYL SULFOXIDE, ...
著者Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M.
登録日2019-06-18
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.408 Å)
主引用文献Kinase Scaffold Repurposing in the Public Domain
To be published
5MG2
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BU of 5mg2 by Molmil
Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe
分子名称: 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Transcription initiation factor TFIID subunit 1
著者Tallant, C, Bouche, L, Holton, S.J, Fedorov, O, Siejka, P, Picaud, S, Krojer, T, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hartung, I.V, Haendler, B, Muller, S, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2016-11-20
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
6VFN
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BU of 6vfn by Molmil
Crystal structure of SpeG allosteric polyamine acetyltransferase from Bacillus thuringiensis in complex with spermine
分子名称: SPERMINE, Spermidine N1-acetyltransferase
著者Tsimbalyuk, S, Shornikov, A, Le, V.T.B, Kuhn, M.L, Forwood, J.K.
登録日2020-01-05
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献SpeG polyamine acetyltransferase enzyme from Bacillus thuringiensis forms a dodecameric structure and exhibits high catalytic efficiency.
J.Struct.Biol., 210, 2020
4QR9
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BU of 4qr9 by Molmil
Crystal structure of two HMGB1 Box A domains cooperating to underwind and kink a DNA
分子名称: DNA (5'-D(*AP*TP*AP*TP*CP*GP*AP*TP*AP*T)-3'), High mobility group protein B1, MAGNESIUM ION
著者Sanchez-Giraldo, R, Acosta-Reyes, F.J, Malarkey, C.S, Saperas, N, Churchill, M.E.A, Campos, J.L.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two high-mobility group box domains act together to underwind and kink DNA.
Acta Crystallogr.,Sect.D, 71, 2015
5MHO
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BU of 5mho by Molmil
FXIIIa in complex with the inhibitor ZED2369
分子名称: CALCIUM ION, Coagulation factor XIII A chain, SULFATE ION, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2016-11-24
公開日2017-12-20
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献FXIIIa in complex with the inhibitor ZED2369
To Be Published
8GJ8
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RAD51C C-terminal domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAD51C
著者Arvai, A.S, Tainer, J.A, Williams, G.
登録日2023-03-15
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
7MLW
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BU of 7mlw by Molmil
Burkholderia sp. TJI49 Guanidine-I riboswitch
分子名称: GUANIDINE, Guanidine-I riboswitch, MAGNESIUM ION, ...
著者Trachman, R.J, Ferre-D'Amare, A.R.
登録日2021-04-29
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An uncommon [K + (Mg 2+ ) 2 ] metal ion triad imparts stability and selectivity to the Guanidine-I riboswitch.
Rna, 27, 2021
6S17
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BU of 6s17 by Molmil
Crystal Structure of DYRK1A with small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ...
著者Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M.
登録日2019-06-18
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Kinase Scaffold Repurposing in the Public Domain
To be published
4XR5
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BU of 4xr5 by Molmil
X-ray structure of the unliganded thymidine phosphorylase from Salmonella typhimurium at 2.05 A resolution
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ...
著者Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
登録日2015-01-20
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
8JZ0
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BU of 8jz0 by Molmil
Crystal structure of a single-chain monellin mutant C41A
分子名称: Monellin chain B,Monellin chain A
著者Yasui, N, Ohnuma, K, Yamashita, A.
登録日2023-07-04
公開日2023-10-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.229 Å)
主引用文献Investigating the Effect of Substituting a Single Cysteine Residue on the Thermal Stability of an Engineered Sweet Protein, Single-Chain Monellin.
Protein J., 42, 2023
6VHR
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BU of 6vhr by Molmil
Structure of PE5-PPE4-EspG3 complex from the type VII (ESX-3) secretion system, space group I422
分子名称: ESX-3 secretion-associated protein EspG3, PE family immunomodulator PE5, PPE family protein PPE4
著者Williamson, Z.A, Korotkov, K.V.
登録日2020-01-10
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献PE5-PPE4-EspG3heterotrimer structure from mycobacterial ESX-3 secretion system gives insight into cognate substrate recognition by ESX systems.
J.Biol.Chem., 295, 2020
5BR8
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BU of 5br8 by Molmil
Ambient-temperature crystal structure of 30S ribosomal subunit from Thermus thermophilus in complex with paromomycin
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Sierra, R.G, Gati, C, Laksmono, H, Dao, E.H, Gul, S, Fuller, F, Kern, J, Chatterjee, R, Ibrahim, M, Brewster, A, Young, I.D, Michels-Clark, T, Aquila, A, Mengning, L, Hunter, M.S, Koglin, J.E, Boutet, S, Junco, E.A, Hayes, B, Bogan, M.J, Hampton, C.Y, Puglisi, E.V, Sauter, N.K, Stan, C.A, Zouni, A, Yano, J, Yachandra, V.K, Soltis, S.M, Puglisi, J.D, DeMirci, H.
登録日2015-05-29
公開日2015-11-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Ambient-temperature crystal structure of 30S ribosomal subunit from Thermus thermophilus in complex with paromomycin
To Be Published
8B6X
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NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in DPC micelles
分子名称: Envelope glycoprotein gp160
著者Jimenez, M.A, Partida-Hanon, A, Nieva, J.L.
登録日2022-09-27
公開日2022-11-30
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Molecular recognition of a membrane-anchored HIV-1 pan-neutralizing epitope.
Commun Biol, 5, 2022

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