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PDB: 89111 件

6ETE
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Crystal structure of KDM4D with tetrazolhydrazide compound 5
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, NICKEL (II) ION, ...
著者Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A.
登録日2017-10-26
公開日2019-02-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.468 Å)
主引用文献Crystal structure of KDM4D with tetrazolylhydrazide ligand NR128
To be published
5L3D
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Human LSD1/CoREST: LSD1 Y761H mutation
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1
著者Pilotto, S, Speranzini, V, Marabelli, C, Mattevi, A.
登録日2016-04-06
公開日2016-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors.
Hum.Mol.Genet., 25, 2016
5A5A
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BU of 5a5a by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with PNP-T-antigen
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
著者Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
登録日2015-06-16
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
4UM1
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Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573
分子名称: 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN
著者Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M.
登録日2014-05-14
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
6MN0
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BU of 6mn0 by Molmil
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H168A mutant in complex with acetyl-CoA
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETYL COENZYME *A, Aminoglycoside N(3)-acetyltransferase, ...
著者Stogios, P.J, Skarina, T, Zu, X, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-01
公開日2018-10-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
5I0X
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COPPER-BOUND M90I VARIANT OF UROPATHOGENIC ESCHERICHIA COLI STRAIN F11 FETP
分子名称: COPPER (II) ION, Periplasmic protein-probably involved in high-affinity Fe2+ transport
著者Chan, A.C, Murphy, M.E.
登録日2016-02-04
公開日2017-02-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A copper site is required for iron transport by the periplasmic proteins P19 and FetP.
Metallomics, 12, 2020
5AO9
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BU of 5ao9 by Molmil
The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-native
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Sayer, C, Szabo, Z, Isupov, M.N, Ingham, C, Littlechild, J.A.
登録日2015-09-10
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The Structure of a Novel Thermophilic Esterase from the Planctomycetes Species, Thermogutta Terrifontis Reveals an Open Active Site due to a Minimal 'CAP' Domain.
Front.Microbiol., 6, 2015
1A6Z
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BU of 1a6z by Molmil
HFE (HUMAN) HEMOCHROMATOSIS PROTEIN
分子名称: BETA-2-MICROGLOBULIN, HFE
著者Lebron, J.A, Bennett, M.J, Vaughn, D.E, Chirino, A.J, Snow, P.M, Mintier, G.A, Feder, J.N, Bjorkman, P.J.
登録日1998-03-04
公開日1999-03-23
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the hemochromatosis protein HFE and characterization of its interaction with transferrin receptor.
Cell(Cambridge,Mass.), 93, 1998
6Q90
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Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea
分子名称: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, ...
著者Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
登録日2018-12-16
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea
To Be Published
4UQ6
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BU of 4uq6 by Molmil
Electron density map of GluA2em in complex with LY451646 and glutamate
分子名称: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID
著者Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S.
登録日2014-06-20
公開日2014-08-13
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (12.8 Å)
主引用文献Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
5VHB
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BU of 5vhb by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor
分子名称: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A.
登録日2017-04-12
公開日2018-01-31
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
6MN7
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BU of 6mn7 by Molmil
Cryo-EM structure of BG505.SOSIP.664 in complex with BF520.1 antigen binding fragment
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, BF520.1 Fab variable region, ...
著者Williams, J.A, Lee, K.K, Overbaugh, J.
登録日2018-10-01
公開日2019-03-06
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Kappa chain maturation helps drive rapid development of an infant HIV-1 broadly neutralizing antibody lineage.
Nat Commun, 10, 2019
6VXW
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BU of 6vxw by Molmil
NMR solution structure of natural scorpion toxin Cl13
分子名称: Beta-toxin Cl13
著者del Rio Portilla, F, Delepierre, M, Lopez Giraldo, A.E.
登録日2020-02-24
公開日2020-07-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The three-dimensional structure of the toxic peptide Cl13 from the scorpion Centruroides limpidus.
Toxicon, 184, 2020
6CDN
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BU of 6cdn by Molmil
Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
著者Liu, A, Li, J, Shin, I.
登録日2018-02-08
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6IYK
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BU of 6iyk by Molmil
The structure of EntE with 2-nitrobenzoyl adenylate analog
分子名称: 2,3-dihydroxybenzoate-AMP ligase component of enterobactin synthase multienzyme complex, 5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine
著者Miyanaga, A, Ishikawa, F.
登録日2018-12-17
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献An Engineered Aryl Acid Adenylation Domain with an Enlarged Substrate Binding Pocket.
Angew.Chem.Int.Ed.Engl., 58, 2019
5VIB
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BU of 5vib by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
分子名称: 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A.
登録日2017-04-14
公開日2018-01-31
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5A9J
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BU of 5a9j by Molmil
Crystal structure of the Helicase domain of human DNA polymerase theta, apo-form
分子名称: DNA POLYMERASE THETA
著者Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2015-07-21
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
8P6Q
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BU of 8p6q by Molmil
Racemic structure of TNFR1 cysteine-rich domain
分子名称: D-TNFR-1 CRD2, SULFATE ION, Tumor necrosis factor-binding protein 1
著者Lander, A.J, Jin, Y, Luk, L.Y.P.
登録日2023-05-28
公開日2024-01-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Deciphering the Synthetic and Refolding Strategy of a Cysteine-Rich Domain in the Tumor Necrosis Factor Receptor (TNF-R) for Racemic Crystallography Analysis and d-Peptide Ligand Discovery.
Acs Bio Med Chem Au, 4, 2024
6MRS
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BU of 6mrs by Molmil
De novo designed protein Peak6
分子名称: Peak6, SULFATE ION
著者Koepnick, B, Boykov, A, Baker, D.
登録日2018-10-15
公開日2019-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献De novo protein design by citizen scientists.
Nature, 570, 2019
6MS3
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BU of 6ms3 by Molmil
Crystal structure of the GH43 protein BlXynB mutant (K247S) from Bacillus licheniformis
分子名称: CALCIUM ION, GLYCEROL, Glycoside Hydrolase Family 43, ...
著者Zanphorlin, L.M, Morais, M.A.B, Diogo, J.A, Murakami, M.T.
登録日2018-10-16
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-guided design combined with evolutionary diversity led to the discovery of the xylose-releasing exo-xylanase activity in the glycoside hydrolase family 43.
Biotechnol. Bioeng., 116, 2019
5AQ7
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DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography
分子名称: D12_DB04V3, MALONATE ION
著者Batyuk, A, Wu, Y, Honegger, A, Heberling, M, Plueckthun, A.
登録日2015-09-21
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Darpin-Based Crystallization Chaperones Exploit Molecular Geometry as a Screening Dimension in Protein Crystallography
J.Mol.Biol., 428, 2016
6WA5
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BU of 6wa5 by Molmil
Solution NMR Structure of the G4L/Q5K/G6S (NOS) Unmyristoylated Feline Immunodeficiency Virus Matrix Protein
分子名称: Matrix protein
著者Brown, J.B, Summers, H.R, Brown, L.A, Marchant, J, Canova, P.N, O'Hern, C.T, Abbott, S.T, Nyaunu, C, Maxwell, S, Johnson, T, Moser, M.B, Ablan, S.A, Carter, H, Freed, E.O, Summers, M.F.
登録日2020-03-24
公開日2020-07-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Mechanistic Studies of the Rare Myristoylation Signal of the Feline Immunodeficiency Virus.
J.Mol.Biol., 432, 2020
7SI4
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BU of 7si4 by Molmil
CRYSTAL STRUCTURE OF EED WITH MRTX-2219
分子名称: (4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, FORMIC ACID, Polycomb protein EED
著者Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A.
登録日2021-10-12
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献CRYSTAL STRUCTURE OF EED WITH MRTX-2219
TO BE PUBLISHED
5A0Q
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Cryo-EM reveals the conformation of a substrate analogue in the human 20S proteasome core
分子名称: ADA-(AHX)3-(LEU)3-VINYL SULFONE, PROTEASOME SUBUNIT ALPHA TYPE-1, PROTEASOME SUBUNIT ALPHA TYPE-2, ...
著者daFonseca, P.C.A, Morris, E.P.
登録日2015-04-22
公開日2015-12-30
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-Em Reveals the Conformation of a Substrate Analogue in the Human 20S Proteasome Core.
Nat.Commun., 6, 2015
7KKD
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Dihydrodipicolinate synthase (DHDPS) from C.jejuni, N84A mutant with pyruvate bound in the active site and R,R-bislysine bound at the allosteric site
分子名称: (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ...
著者Saran, S, Majdi Yazdi, M, Sanders, D.A.R.
登録日2020-10-27
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A TIGHT DIMER INTERFACE N84 RESIDUE, PLAYS A CRITICAL ROLE IN THE TRANSMISSION OF THE ALLOSTERIC INHIBITION SIGNALS IN Cj.DHDPS
To Be Published

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