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PDB: 192 results

2JHO
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BU of 2jho by Molmil
Cyanomet Sperm Whale Myoglobin at 1.4A resolution
Descriptor: CYANIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Arcovito, A, Benfatto, M, Cianci, M, Hasnain, S.S, Nienhaus, K, Nienhaus, G.U, Savino, C, Strange, R.W, Vallone, B, Della Longa, S.
Deposit date:2007-02-23
Release date:2007-04-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray structure analysis of a metalloprotein with enhanced active-site resolution using in situ x-ray absorption near edge structure spectroscopy.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
1ARK
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BU of 1ark by Molmil
SH3 DOMAIN FROM HUMAN NEBULIN, NMR, 15 STRUCTURES
Descriptor: NEBULIN
Authors:Politou, A.S, Pastore, A.
Deposit date:1997-08-07
Release date:1998-01-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:SH3 in muscles: solution structure of the SH3 domain from nebulin.
J.Mol.Biol., 276, 1998
2VRY
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BU of 2vry by Molmil
Mouse Neuroglobin with heme iron in the reduced ferrous state
Descriptor: NEUROGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Arcovito, A, Moschetti, T, D'Angelo, P, Mancini, G, Vallone, B, Brunori, M, Della Longa, S.
Deposit date:2008-04-16
Release date:2008-05-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:An X-Ray Diffraction and X-Ray Absorption Spectroscopy Joint Study of Neuroglobin.
Arch.Biochem.Biophys., 475, 2008
1NEB
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BU of 1neb by Molmil
SH3 DOMAIN FROM HUMAN NEBULIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: NEBULIN
Authors:Politou, A.S, Pastore, A.
Deposit date:1997-08-07
Release date:1997-12-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:SH3 in muscles: solution structure of the SH3 domain from nebulin.
J.Mol.Biol., 276, 1998
5Y4H
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BU of 5y4h by Molmil
Human SIRT3 in complex with halistanol sulfate
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, THr-Arg-Ser-GLY-ALY-VAL-MET-ARG-ARG-LEU-ARG-ARG, ...
Authors:Kudo, N, Ito, A, Yoshida, M.
Deposit date:2017-08-03
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Halistanol sulfates I and J, new SIRT1-3 inhibitory steroid sulfates from a marine sponge of the genus Halichondria
J. Antibiot., 71, 2018
5Y0Z
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BU of 5y0z by Molmil
Human SIRT2 in complex with a specific inhibitor, NPD11033
Descriptor: (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, NAD-dependent protein deacetylase sirtuin-2, ZINC ION
Authors:Kudo, N, Ito, A, Yoshida, M.
Deposit date:2017-07-19
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a novel small molecule that inhibits deacetylase but not defatty-acylase reaction catalysed by SIRT2.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
5YLT
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Crystal structure of SET7/9 in complex with a cyproheptadine derivative
Descriptor: 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ...
Authors:Hirano, T, Fujiwara, T, Niwa, H, Hirano, M, Ohira, K, Okazaki, Y, Sato, S, Umehara, T, Maemoto, Y, Ito, A, Yoshida, M, Kagechika, H.
Deposit date:2017-10-19
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Development of Novel Inhibitors for Histone Methyltransferase SET7/9 based on Cyproheptadine.
ChemMedChem, 13, 2018
4WJL
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BU of 4wjl by Molmil
Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Inactive dipeptidyl peptidase 10, ...
Authors:Bezerra, G.A, Dobrovetsky, E, Seitova, A, Fedosyuk, S, Dhe-Paganon, S, Gruber, K.
Deposit date:2014-09-30
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels.
Sci Rep, 5, 2015
5AYF
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Crystal structure of SET7/9 in complex with cyproheptadine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine, Histone-lysine N-methyltransferase SETD7, ...
Authors:Niwa, H, Handa, N, Takemoto, Y, Ito, A, Tomabechi, Y, Umehara, T, Shirouzu, M, Yoshida, M, Yokoyama, S.
Deposit date:2015-08-20
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription
J.Med.Chem., 59, 2016
4Y6L
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BU of 4y6l by Molmil
Human SIRT2 in complex with myristoylated peptide (H3K9myr)
Descriptor: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, peptide THR-ALA-ARG-MYK-SER-THR-GLY
Authors:Kudo, N, Ito, A, Yoshida, M.
Deposit date:2015-02-13
Release date:2016-01-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation.
Biochemistry, 54, 2015
4Y6Q
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BU of 4y6q by Molmil
Human SIRT2 in complex with 2-O-myristoyl-ADP-ribose
Descriptor: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate
Authors:Kudo, N, Ito, A, Yoshida, M.
Deposit date:2015-02-13
Release date:2016-01-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation.
Biochemistry, 54, 2015
4Y6O
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BU of 4y6o by Molmil
Human SIRT2 in complex with myristoylated peptide (TNF-alphaK20myr)
Descriptor: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, peptide LEU-PRO-LYS-MYK-THR-GLY-GLY
Authors:Kudo, N, Ito, A, Yoshida, M.
Deposit date:2015-02-13
Release date:2016-01-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation.
Biochemistry, 54, 2015
1J7S
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BU of 1j7s by Molmil
Crystal Structure of deoxy HbalphaYQ, a mutant of HbA
Descriptor: Hemoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Miele, A.E, Draghi, F, Arcovito, A, Bellelli, A, Brunori, M, Travaglini-Allocatelli, C, Vallone, B.
Deposit date:2001-05-18
Release date:2002-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Control of heme reactivity by diffusion: structural basis and functional characterization in hemoglobin mutants.
Biochemistry, 40, 2001
1J7Y
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BU of 1j7y by Molmil
Crystal structure of partially ligated mutant of HbA
Descriptor: CARBON MONOXIDE, Hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Miele, A.E, Draghi, F, Arcovito, A, Bellelli, A, Brunori, M, Travaglini-Allocatelli, C, Vallone, B.
Deposit date:2001-05-19
Release date:2002-02-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Control of heme reactivity by diffusion: structural basis and functional characterization in hemoglobin mutants.
Biochemistry, 40, 2001
1J7W
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BU of 1j7w by Molmil
Crystal structure of deoxy HbbetaYQ, a site directed mutant of HbA
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, hemoglobin
Authors:Miele, A.E, Draghi, F, Arcovito, A, Bellelli, A, Brunori, M, Travaglini-Allocatelli, C, Vallone, B.
Deposit date:2001-05-19
Release date:2002-02-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Control of heme reactivity by diffusion: structural basis and functional characterization in hemoglobin mutants.
Biochemistry, 40, 2001
7YYK
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BU of 7yyk by Molmil
Crystal structure of the O-fucosylated form of TSRs1-3 from the human thrombospondin 1
Descriptor: 1,2-ETHANEDIOL, Thrombospondin-1, alpha-L-fucopyranose
Authors:Berardinelli, S.J, Eletsky, A, Valero-Gonzalez, J, Ito, A, Manjunath, R, Hurtado-Guerrero, R, Prestegard, J.R, Woods, R.J, Haltiwanger, R.S.
Deposit date:2022-02-18
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:O-fucosylation stabilizes the TSR3 motif in thrombospondin-1 by interacting with nearby amino acids and protecting a disulfide bond.
J.Biol.Chem., 298, 2022
5DYK
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BU of 5dyk by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form
Descriptor: 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ...
Authors:Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
Deposit date:2015-09-24
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
9BBH
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BU of 9bbh by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028670
Descriptor: 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ...
Authors:Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystal structure of human DDB1 bound to fragment UB028670
To be published
9BBE
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BU of 9bbe by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028668
Descriptor: 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ...
Authors:Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystal structure of human DDB1 bound to fragment UB028668
To be published
5LEV
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BU of 5lev by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant)
Descriptor: UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND
Authors:Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2016-06-30
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
5DZC
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BU of 5dzc by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - AMPPNP bound
Descriptor: CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ...
Authors:Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, He, H, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2015-09-25
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
9BBG
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BU of 9bbg by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028671
Descriptor: 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ...
Authors:Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Co-crystal structure of human DDB1 bound to fragment UB028671
To be published
9BBI
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BU of 9bbi by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028669
Descriptor: 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ...
Authors:Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Co-crystal structure of human DDB1 bound to fragment UB028669
To be published
9BCZ
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BU of 9bcz by Molmil
Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Edwards, M.M, Dong, A, Theo-Emegano, N, Seitova, A, Loppnau, P, Leung, R, Li, H, Ilyassov, O, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2024-04-10
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine
To be published
9BHR
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BU of 9bhr by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published

222036

数据于2024-07-03公开中

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