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5E05
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BU of 5e05 by Molmil
Structure of Sin Nombre virus nucleoprotein in shot-axis crystal form
Descriptor: Nucleocapsid protein, PHOSPHATE ION
Authors:Guo, Y, Wang, W.M, Lou, Z.Y.
Deposit date:2015-09-28
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Core Region of Hantavirus Nucleocapsid Protein Reveals the Mechanism for Ribonucleoprotein Complex Formation
J.Virol., 90, 2015
3R6M
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BU of 3r6m by Molmil
Crystal structure of Vibrio parahaemolyticus YeaZ
Descriptor: YeaZ, resuscitation promoting factor
Authors:Roujeinikova, A, Aydin, I.
Deposit date:2011-03-21
Release date:2011-09-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Analysis of the Essential Resuscitation Promoting Factor YeaZ Suggests a Mechanism of Nucleotide Regulation through Dimer Reorganization.
Plos One, 6, 2011
6JM5
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BU of 6jm5 by Molmil
Crystal structure of TBC1D23 C terminal domain
Descriptor: SODIUM ION, TBC1 domain family member 23
Authors:Sun, Q, Huang, W.
Deposit date:2019-03-07
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional studies of TBC1D23 C-terminal domain provide a link between endosomal trafficking and PCH.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IPY
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BU of 6ipy by Molmil
His-tagged Fyn SH3 domain R96I mutant
Descriptor: Tyrosine-protein kinase Fyn
Authors:Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
Deposit date:2018-11-05
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.343 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
7D7S
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BU of 7d7s by Molmil
HIV-1 SF2 Nef in complex with the Fyn SH3 R96I mutant
Descriptor: Protein Nef, Tyrosine-protein kinase Fyn
Authors:Aldehaiman, A, Shahul Hamed, U.F, Arold, S.T.
Deposit date:2020-10-05
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
1PDY
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BU of 1pdy by Molmil
X-RAY STRUCTURE AND CATALYTIC MECHANISM OF LOBSTER ENOLASE
Descriptor: ENOLASE, SULFATE ION
Authors:Janin, J, Duquerroy, S, Camus, C, Le Bras, G.
Deposit date:1995-06-05
Release date:1995-11-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structure and catalytic mechanism of lobster enolase.
Biochemistry, 34, 1995
1PDZ
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BU of 1pdz by Molmil
X-RAY STRUCTURE AND CATALYTIC MECHANISM OF LOBSTER ENOLASE
Descriptor: 2-PHOSPHOGLYCOLIC ACID, ENOLASE, MANGANESE (II) ION
Authors:Janin, J, Duquerroy, S, Camus, C, Le Bras, G.
Deposit date:1995-06-05
Release date:1995-11-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structure and catalytic mechanism of lobster enolase.
Biochemistry, 34, 1995
1NSQ
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BU of 1nsq by Molmil
MECHANISM OF PHOSPHATE TRANSFER BY NUCLEOSIDE DIPHOSPHATE KINASE: X-RAY STRUCTURES OF A PHOSPHO-HISTIDINE INTERMEDIATE OF THE ENZYMES FROM DROSOPHILA AND DICTYOSTELIUM
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Janin, J, Chiadmi, M, Morera, S, Lebras, G, Lascu, I.
Deposit date:1995-04-24
Release date:1995-07-10
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Mechanism of phosphate transfer by nucleoside diphosphate kinase: X-ray structures of the phosphohistidine intermediate of the enzymes from Drosophila and Dictyostelium.
Biochemistry, 34, 1995
5W0Q
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BU of 5w0q by Molmil
CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide)
Descriptor: (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide, CREB-binding protein, SULFATE ION
Authors:Murray, J.M.
Deposit date:2017-05-31
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5W0F
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BU of 5w0f by Molmil
CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
Descriptor: 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5W0L
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BU of 5w0l by Molmil
CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
Descriptor: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
Authors:Murray, J.M.
Deposit date:2017-05-31
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5W0I
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BU of 5w0i by Molmil
CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
Descriptor: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
4DUS
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BU of 4dus by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Sickmier, E.A.
Deposit date:2012-02-22
Release date:2012-10-10
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
4KIE
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BU of 4kie by Molmil
Crystal structure of the EAL domain of c-di-GMP specific phosphodiesterase YahA
Descriptor: Cyclic di-GMP phosphodiesterase YahA, TRIETHYLENE GLYCOL
Authors:Sundriyal, A, Schirmer, T.
Deposit date:2013-05-02
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inherent Regulation of EAL Domain-catalyzed Hydrolysis of Second Messenger Cyclic di-GMP.
J.Biol.Chem., 289, 2014
4LJ3
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BU of 4lj3 by Molmil
Crystal structure of the EAL domain of c-di-GMP specific phosphodiesterase YahA in complex with substrate c-di-GMP and Ca++
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Cyclic di-GMP phosphodiesterase YahA, ...
Authors:Sundriyal, A, Schirmer, T.
Deposit date:2013-07-04
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inherent Regulation of EAL Domain-catalyzed Hydrolysis of Second Messenger Cyclic di-GMP.
J.Biol.Chem., 289, 2014
4LYK
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BU of 4lyk by Molmil
Crystal structure of the EAL domain of c-di-GMP specific phosphodiesterase YahA in complex with activating cofactor Mg++
Descriptor: 1,2-ETHANEDIOL, Cyclic di-GMP phosphodiesterase YahA, MAGNESIUM ION, ...
Authors:Sundriyal, A, Schirmer, T.
Deposit date:2013-07-31
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inherent Regulation of EAL Domain-catalyzed Hydrolysis of Second Messenger Cyclic di-GMP.
J.Biol.Chem., 289, 2014
3LKY
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BU of 3lky by Molmil
Monomeric Griffithsin with a Single Gly-Ser Insertion
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Griffithsin, ...
Authors:Moulaei, T, Wlodawer, A.
Deposit date:2010-01-28
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Monomerization of viral entry inhibitor griffithsin elucidates the relationship between multivalent binding to carbohydrates and anti-HIV activity.
Structure, 18, 2010
3LL2
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BU of 3ll2 by Molmil
Monomeric Griffithsin in Complex with a High-Mannose Branched Carbohydrate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Griffithsin, ...
Authors:Moulaei, T, Wlodawer, A.
Deposit date:2010-01-28
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Monomerization of viral entry inhibitor griffithsin elucidates the relationship between multivalent binding to carbohydrates and anti-HIV activity.
Structure, 18, 2010
3LL0
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BU of 3ll0 by Molmil
Monomeric Griffithsin with two Gly-Ser Insertions
Descriptor: GLYCEROL, Griffithsin, SULFATE ION
Authors:Moulaei, T, Wlodawer, A.
Deposit date:2010-01-28
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Monomerization of viral entry inhibitor griffithsin elucidates the relationship between multivalent binding to carbohydrates and anti-HIV activity.
Structure, 18, 2010
3LL1
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BU of 3ll1 by Molmil
Monomeric Griffithsin with a Single Gly-Ser Insertion and Mutations to Remove Residual Self-Association
Descriptor: CHLORIDE ION, Griffithsin
Authors:Moulaei, T, Wlodawer, A.
Deposit date:2010-01-28
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Monomerization of viral entry inhibitor griffithsin elucidates the relationship between multivalent binding to carbohydrates and anti-HIV activity.
Structure, 18, 2010
3KZ1
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BU of 3kz1 by Molmil
Crystal Structure of the Complex of PDZ-RhoGEF DH/PH domains with GTP-gamma-S Activated RhoA
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho guanine nucleotide exchange factor 11, ...
Authors:Chen, Z, Sternweis, P.C, Sprang, S.R.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Activated RhoA binds to the pleckstrin homology (PH) domain of PDZ-RhoGEF, a potential site for autoregulation.
J.Biol.Chem., 285, 2010
6MOM
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BU of 6mom by Molmil
Crystal structure of human Interleukin-1 receptor associated Kinase 4 (IRAK 4, CID 100300) in complex with compound NCC00371481 (BSI 107591)
Descriptor: 1,2-ETHANEDIOL, 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine, Interleukin-1 receptor-associated kinase 4
Authors:Abendroth, J, Mayclin, S.J, Lorimer, D.D, Starczynowski, D, Hoyt, S, Tawa, G, Thomas, C.
Deposit date:2018-10-04
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Overcoming adaptive therapy resistance in AML by targeting immune response pathways.
Sci Transl Med, 11, 2019
4FS4
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BU of 4fs4 by Molmil
Structure of BACE Bound to (S)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Stamford, A.
Deposit date:2012-06-26
Release date:2012-10-10
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
3G5F
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BU of 3g5f by Molmil
Crystallographic analysis of cytochrome P450 cyp121
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Belin, P, Le Du, M.H, Gondry, M.
Deposit date:2009-02-05
Release date:2009-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009
3G5H
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BU of 3g5h by Molmil
Crystallographic analysis of cytochrome P450 cyp121
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Belin, P, Le Du, M.H, Gondry, M.
Deposit date:2009-02-05
Release date:2009-04-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009

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