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6N7D
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BU of 6n7d by Molmil
Structure of the human JAK1 kinase domain with compound 54
Descriptor: GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
3N34
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BU of 3n34 by Molmil
Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP, produced from 5-fluoro-6-azido-UMP
Descriptor: 1,2-ETHANEDIOL, 6-amino-5-fluorouridine 5'-(dihydrogen phosphate), DI(HYDROXYETHYL)ETHER, ...
Authors:Liu, Y, Kotra, L.P, Pai, E.F.
Deposit date:2010-05-19
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP, produced from 5-fluoro-6-azido-UMP
To be Published
3GFW
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BU of 3gfw by Molmil
Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand
Descriptor: 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
Authors:Filippakopoulos, P, Soundararajan, M, Choi, H, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Grey, N, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-02-27
Release date:2009-03-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
1UDV
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BU of 1udv by Molmil
Crystal structure of the hyperthermophilic archaeal dna-binding protein Sso10b2 at 1.85 A
Descriptor: DNA binding protein SSO10b, ZINC ION
Authors:Chou, C.-C, Lin, T.-W, Chen, C.-Y, Wang, A.H.J.
Deposit date:2003-05-07
Release date:2003-08-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the hyperthermophilic archaeal DNA-binding protein Sso10b2 at a resolution of 1.85 Angstroms
J.BACTERIOL., 185, 2003
4C78
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BU of 4c78 by Molmil
Complex of human Sirt3 with Bromo-Resveratrol and ACS2 peptide
Descriptor: 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ...
Authors:Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-09-19
Release date:2013-11-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism.
Chem.Biol., 20, 2013
1MLA
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BU of 1mla by Molmil
THE ESCHERICHIA COLI MALONYL-COA:ACYL CARRIER PROTEIN TRANSACYLASE AT 1.5-ANGSTROMS RESOLUTION. CRYSTAL STRUCTURE OF A FATTY ACID SYNTHASE COMPONENT
Descriptor: MALONYL-COENZYME A ACYL CARRIER PROTEIN TRANSACYLASE
Authors:Serre, L, Verbree, E.C, Dauter, Z, Stuitje, A.R, Derewenda, Z.S.
Deposit date:1995-01-25
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Escherichia coli malonyl-CoA:acyl carrier protein transacylase at 1.5-A resolution. Crystal structure of a fatty acid synthase component.
J.Biol.Chem., 270, 1995
3NI2
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BU of 3ni2 by Molmil
Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-coumarate:CoA ligase, 5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
Authors:Hu, Y, Yin, L, Gai, Y, Wang, X.X, Wang, D.C.
Deposit date:2010-06-14
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms
Plant Cell, 22, 2010
4QU7
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BU of 4qu7 by Molmil
Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 2.50 A resolution
Descriptor: G-rich sequence factor 1, RNA 5'-(*AP*GP*GP*GP*AP*UP)-3'
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2014-07-10
Release date:2014-08-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 2.50 A resolution
To be published
4LUK
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BU of 4luk by Molmil
The crystal structure of the P132A, Y133G mutant of Pyrococcus furiosus phosphoglucose isomerase in complex with manganese and 5-phospho-D-arabinonate.
Descriptor: 1,2-ETHANEDIOL, 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase, ...
Authors:Baker, P.J, Almourfi, F.M.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Correlated mutation analysis as a tool for smart library design to improve protein performance.
To be Published
1J6O
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BU of 1j6o by Molmil
Crystal structure of TatD-related deoxyribonuclease (TM0667) from Thermotoga maritima at 1.8 A resolution
Descriptor: ISOPROPYL ALCOHOL, TatD-related deoxyribonuclease
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2002-07-09
Release date:2002-10-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of TatD-related deoxyribonuclease (TM0667) from Thermotoga maritima at 1.8 A resolution
To be published
4IIL
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BU of 4iil by Molmil
Crystal Structure of RfuA (TP0298) of T. pallidum Bound to Riboflavin
Descriptor: 1,2-ETHANEDIOL, Membrane lipoprotein TpN38(b), POTASSIUM ION, ...
Authors:Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2012-12-20
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Evidence for an ABC-type riboflavin transporter system in pathogenic spirochetes.
MBio, 4, 2013
6AA5
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BU of 6aa5 by Molmil
Crystal structure of MTH1 in complex with 3-isomangostin
Descriptor: 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ...
Authors:Yokoyama, T, Kitakami, R, Mizuguchi, M.
Deposit date:2018-07-17
Release date:2019-03-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
1S7G
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BU of 1s7g by Molmil
Structural Basis for the Mechanism and Regulation of Sir2 Enzymes
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, HEXAETHYLENE GLYCOL, ...
Authors:Avalos, J.L, Boeke, J.D, Wolberger, C.
Deposit date:2004-01-29
Release date:2004-03-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the mechanism and regulation of sir2 enzymes
Mol.Cell, 13, 2004
7L6Z
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BU of 7l6z by Molmil
Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (PpiB) Streptococcus pneumoniae R6
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-24
Release date:2021-12-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (PpiB) Streptococcus pneumoniae R6
To Be Published
1ONC
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BU of 1onc by Molmil
THE REFINED 1.7 ANGSTROMS X-RAY CRYSTALLOGRAPHIC STRUCTURE OF P-30, AN AMPHIBIAN RIBONUCLEASE WITH ANTI-TUMOR ACTIVITY
Descriptor: P-30 PROTEIN, SULFATE ION
Authors:Mosimann, S.C, Ardelt, W, James, M.N.G.
Deposit date:1993-08-30
Release date:1994-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Refined 1.7 A X-ray crystallographic structure of P-30 protein, an amphibian ribonuclease with anti-tumor activity.
J.Mol.Biol., 236, 1994
4AE3
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BU of 4ae3 by Molmil
Crystal structure of ammosamide 272:myosin-2 motor domain complex
Descriptor: 1,2-ETHANEDIOL, ADP ORTHOVANADATE, AMMOSAMIDE 272, ...
Authors:Chinthalapudi, K, Heissler, S.M, Fenical, W, Manstein, D.J.
Deposit date:2012-01-05
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Ammosamide Mediated Myosin Motor Activity Inhibition
To be Published
1MOL
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BU of 1mol by Molmil
TWO CRYSTAL STRUCTURES OF A POTENTLY SWEET PROTEIN: NATURAL MONELLIN AT 2.75 ANGSTROMS RESOLUTION AND SINGLE-CHAIN MONELLIN AT 1.7 ANGSTROMS RESOLUTION
Descriptor: MONELLIN
Authors:Somoza, J.R, Kim, S.-H.
Deposit date:1993-04-27
Release date:1994-05-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two crystal structures of a potently sweet protein. Natural monellin at 2.75 A resolution and single-chain monellin at 1.7 A resolution.
J.Mol.Biol., 234, 1993
2ZKG
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BU of 2zkg by Molmil
Crystal structure of unliganded SRA domain of mouse Np95
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UHRF1
Authors:Arita, K, Ariyoshi, M, Tochio, H, Nakamura, Y, Shirakawa, M.
Deposit date:2008-03-19
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Recognition of hemi-methylated DNA by the SRA protein UHRF1 by a base-flipping mechanism
Nature, 455, 2008
4QSV
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BU of 4qsv by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymidine
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ...
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-06
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
4RC4
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BU of 4rc4 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives
Descriptor: 1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Wan, X, Huang, N.
Deposit date:2014-09-14
Release date:2015-03-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives
To be Published
4QUW
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BU of 4quw by Molmil
Crystal structure of the apo form of cyanobacterial aldehyde-deformylating oxygenase
Descriptor: Aldehyde decarbonylase, HEXADECAN-1-OL
Authors:Jia, C.J, Li, M, Chang, W.R.
Deposit date:2014-07-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
1D5Q
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BU of 1d5q by Molmil
SOLUTION STRUCTURE OF A MINI-PROTEIN REPRODUCING THE CORE OF THE CD4 SURFACE INTERACTING WITH THE HIV-1 ENVELOPE GLYCOPROTEIN
Descriptor: CHIMERIC MINI-PROTEIN
Authors:Vita, C, Drakopoulou, E, Vizzanova, J, Rochette, S, Martin, L, Menez, A, Roumestand, C, Yang, Y.S, Ylisastigui, L, Benjouad, A, Gluckman, J.C.
Deposit date:1999-10-11
Release date:2000-10-11
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Rational engineering of a miniprotein that reproduces the core of the CD4 site interacting with HIV-1 envelope glycoprotein.
Proc.Natl.Acad.Sci.USA, 96, 1999
4QSQ
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BU of 4qsq by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound DMSO
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, DIMETHYL SULFOXIDE, ...
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-06
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
3GF1
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BU of 3gf1 by Molmil
SOLUTION STRUCTURE OF HUMAN INSULIN-LIKE GROWTH FACTOR 1: A NUCLEAR MAGNETIC RESONANCE AND RESTRAINED MOLECULAR DYNAMICS STUDY
Descriptor: INSULIN-LIKE GROWTH FACTOR I
Authors:Cooke, R.M, Harvey, T.S, Campbell, I.D.
Deposit date:1991-01-24
Release date:1993-04-15
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Solution structure of human insulin-like growth factor 1: a nuclear magnetic resonance and restrained molecular dynamics study.
Biochemistry, 30, 1991
2Z2R
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BU of 2z2r by Molmil
Nucleosome assembly proteins I (NAP-1, 74-365)
Descriptor: Nucleosome assembly protein
Authors:Park, Y.J, Luger, K.
Deposit date:2007-05-25
Release date:2008-03-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A beta-hairpin comprising the nuclear localization sequence sustains the self-associated states of nucleosome assembly protein 1
J.Mol.Biol., 375, 2008

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数据于2025-10-08公开中

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