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6JT4
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BU of 6jt4 by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Anan, K, Iso, Y, Oguma, T, Nakahara, K, Suzuki, S, Yamamoto, T, Matsuoka, E, Ito, H, Sakaguchi, G, Ando, S, Morimoto, K, Kanegawa, N, Kido, Y, Kawachi, T, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Austin, N, Bergh, A.V.D, Verboven, P, Bischoff, F, Gijsen, H.J.M, Yamano, Y, Kusakabe, K.I.
Deposit date:2019-04-08
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden.
Chemmedchem, 14, 2019
3DGV
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BU of 3dgv by Molmil
Crystal structure of thrombin activatable fibrinolysis inhibitor (TAFI)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Anand, K, Pallares, I, Valnickova, Z, Christensen, T, Schreuder, H, Enghild, J.
Deposit date:2008-06-16
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of thrombin-activable fibrinolysis inhibitor (TAFI) provides the structural basis for its intrinsic activity and the short half-life of TAFIa.
J.Biol.Chem., 283, 2008
2W2H
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BU of 2w2h by Molmil
Structural basis of transcription activation by the Cyclin T1-Tat-TAR RNA complex from EIAV
Descriptor: 5'-R(*GP*CP*UP*CP*AP*GP*AP*UP*CP*UP *GP*CP*GP*GP*UP*CP*UP*GP*AP*GP*C)-3', CYCLIN-T1, MANGANESE (II) ION, ...
Authors:Anand, K, Geyer, M.
Deposit date:2008-10-30
Release date:2008-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural Insights Into the Cyclin T1-Tat-Tar RNA Transcription Activation Complex from Eiav.
Nat.Struct.Mol.Biol., 15, 2008
2X1V
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BU of 2x1v by Molmil
Crystal Structure of the activating H-Ras I163F mutant in Costello Syndrome, bound to MG-GDP
Descriptor: GTPASE HRAS, GUANOSINE-5'-DIPHOSPHATE
Authors:Anand, K.
Deposit date:2010-01-04
Release date:2010-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the Activating H-Ras I163F Mutant in Costello Syndrome, Bound to Mg-Gdp
To be Published
2WU8
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BU of 2wu8 by Molmil
Structural studies of phosphoglucose isomerase from Mycobacterium tuberculosis H37Rv
Descriptor: GLUCOSE-6-PHOSPHATE ISOMERASE, SULFATE ION
Authors:Anand, K.
Deposit date:2009-10-01
Release date:2009-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Studies of Phosphoglucose Isomerase from Mycobacterium Tuberculosis H37Rv
Acta Crystallogr.,Sect.F, 66, 2010
2VB0
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BU of 2vb0 by Molmil
Crystal structure of coxsackievirus B3 proteinase 3C
Descriptor: CHLORIDE ION, POLYPROTEIN 3BCD
Authors:Anand, K, Mesters, J.R, Goerlach, R, Zell, R, Hilgenfeld, R.
Deposit date:2007-09-05
Release date:2008-10-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Coxsackie Virus B3 Proteinase 3C
To be Published
2PK2
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BU of 2pk2 by Molmil
Cyclin box structure of the P-TEFb subunit Cyclin T1 derived from a fusion complex with EIAV Tat
Descriptor: Cyclin-T1, Protein Tat
Authors:Anand, K, Schulte, A, Fujinaga, K, Scheffzek, K, Geyer, M.
Deposit date:2007-04-17
Release date:2007-07-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Cyclin Box Structure of the P-TEFb Subunit Cyclin T1 Derived from a Fusion Complex with EIAV Tat.
J.Mol.Biol., 370, 2007
3IPV
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BU of 3ipv by Molmil
Crystal structure of Spatholobus parviflorus seed lectin
Descriptor: CALCIUM ION, Lectin alpha chain, Lectin beta chain, ...
Authors:Geethanandan, K, Bharath, S.R, Abhilash, J, Sadasivan, C, Haridas, M.
Deposit date:2009-08-18
Release date:2009-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:X-ray structure of a galactose-specific lectin from Spatholobous parviflorous
Int.J.Biol.Macromol., 49, 2011
4A6F
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BU of 4a6f by Molmil
Crystal structure of Slm1-PH domain in complex with Phosphoserine
Descriptor: PHOSPHATE ION, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE-BINDING PROTEIN SLM1, PHOSPHOSERINE
Authors:Anand, K, Maeda, K, Gavin, A.C.
Deposit date:2011-11-02
Release date:2012-06-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Analyses of Slm1-Ph Domain Demonstrate Ligand Binding in the Non-Canonical Site
Plos One, 7, 2012
4A6H
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BU of 4a6h by Molmil
Crystal structure of Slm1-PH domain in complex with Inositol-4- phosphate
Descriptor: D-MYO-INOSITOL-4-PHOSPHATE, PHOSPHATE ION, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE-BINDING PROTEIN SLM1
Authors:Anand, K, Maeda, K, Gavin, A.C.
Deposit date:2011-11-03
Release date:2012-06-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Structural Analyses of Slm1-Ph Domain Demonstrate Ligand Binding in the Non-Canonical Site
Plos One, 7, 2012
4A6K
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BU of 4a6k by Molmil
Crystal structure of Slm1-PH domain in complex with D-myo-Inositol-4- phosphate
Descriptor: D-MYO-INOSITOL-4-PHOSPHATE, PHOSPHATE ION, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE-BINDING PROTEIN SLM1
Authors:Anand, K, Maeda, K, Gavin, A.C.
Deposit date:2011-11-04
Release date:2012-06-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analyses of Slm1-Ph Domain Demonstrate Ligand Binding in the Non-Canonical Site
Plos One, 7, 2012
1P9S
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BU of 1p9s by Molmil
Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Descriptor: 1,4-DIETHYLENE DIOXIDE, Replicase polyprotein 1ab
Authors:Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R.
Deposit date:2003-05-12
Release date:2003-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Science, 300, 2003
1P9U
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BU of 1p9u by Molmil
Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, PHQ-VNSTLQ-CHLOROMETHYLKETONE INHIBITOR, SULFATE ION, ...
Authors:Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R.
Deposit date:2003-05-12
Release date:2003-05-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Science, 300, 2003
4A5K
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BU of 4a5k by Molmil
Structural analyses of Slm1-PH domain demonstrate ligand binding in the non-canonical site
Descriptor: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE-BINDING PROTEIN SLM 1, SULFATE ION
Authors:Anand, K, Gavin, A.C.
Deposit date:2011-10-25
Release date:2012-06-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Analyses of Slm1-Ph Domain Demonstrate Ligand Binding in the Non-Canonical Site
Plos One, 7, 2012
1LVO
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BU of 1lvo by Molmil
Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra alpha-helical domain
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIETHYLENE DIOXIDE, Replicase, ...
Authors:Anand, K, Palm, G.J, Mesters, J.R, Siddell, S.G, Ziebuhr, J, Hilgenfeld, R.
Deposit date:2002-05-29
Release date:2002-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra alpha-helical domain.
EMBO J., 21, 2002
7NXJ
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BU of 7nxj by Molmil
Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531
Descriptor: Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
Authors:Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M.
Deposit date:2021-03-18
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
7NXK
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BU of 7nxk by Molmil
Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175
Descriptor: (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12
Authors:Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M.
Deposit date:2021-03-18
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
8PYR
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BU of 8pyr by Molmil
Crystal structure of the dual T-loop phosphorylated Cdk7/CycH/Mat1 complex
Descriptor: 1,2-ETHANEDIOL, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Anand, K, Duster, R, Geyer, M.
Deposit date:2023-07-26
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis of Cdk7 activation by dual T-loop phosphorylation.
Biorxiv, 2024
8P81
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BU of 8p81 by Molmil
Crystal structure of human Cdk12/Cyclin K in complex with inhibitor SR-4835
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine
Authors:Anand, K, Schmitz, M, Geyer, M.
Deposit date:2023-05-31
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:The reversible inhibitor SR-4835 binds Cdk12/cyclin K in a noncanonical G-loop conformation.
J.Biol.Chem., 300, 2023
7BAI
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BU of 7bai by Molmil
Structure of RIG-I CTD (I875A) bound to p-RNA
Descriptor: Antiviral innate immune response receptor RIG-I, RNA (5'-R(*(GDP)P*AP*CP*GP*CP*UP*AP*GP*CP*GP*UP*C)-3'), ZINC ION
Authors:Anand, K, Hagelueken, G, Fusshoeller, D, Geyer, M.
Deposit date:2020-12-15
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A conserved isoleucine in the RNA sensor RIG-I controls immune tolerance to mitochondrial RNA
To Be Published
7BAH
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BU of 7bah by Molmil
Structure of RIG-I CTD bound to OH-RNA
Descriptor: Antiviral innate immune response receptor RIG-I, RNA (5'-R(*GP*AP*CP*GP*CP*UP*AP*GP*CP*GP*UP*C)-3'), ZINC ION
Authors:Anand, K, Hagelueken, G, Fusshoeller, D, Geyer, M.
Deposit date:2020-12-15
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A conserved isoleucine in the RNA sensor RIG-I controls immune tolerance to mitochondrial RNA
To Be Published
4WS6
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BU of 4ws6 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-aminouracil, Form I
Descriptor: 1,2-ETHANEDIOL, 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, CHLORIDE ION, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
5NUI
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BU of 5nui by Molmil
Crystal structure of SIVmac239 Nef in an ExxxLM endocytic sorting motif bound state
Descriptor: Protein Nef, SER-GLN-ILE-LYS-ARG-LEU-LEU-SER
Authors:Manrique, S, Horenkamp, F.A, Anand, K, Geyer, M.
Deposit date:2017-04-30
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Endocytic sorting motif interactions involved in Nef-mediated downmodulation of CD4 and CD3.
Nat Commun, 8, 2017
5NUH
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BU of 5nuh by Molmil
Crystal structure of SIVmac239 Nef bound to an engineered Hck SH3 domain
Descriptor: Protein Nef, Tyrosine-protein kinase HCK,Tyrosine-protein kinase HCK
Authors:Horenkamp, F.A, Anand, K, Geyer, M.
Deposit date:2017-04-30
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Endocytic sorting motif interactions involved in Nef-mediated downmodulation of CD4 and CD3.
Nat Commun, 8, 2017
1N76
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BU of 1n76 by Molmil
CRYSTAL STRUCTURE OF HUMAN SEMINAL LACTOFERRIN AT 3.4 A RESOLUTION
Descriptor: CARBONATE ION, FE (III) ION, LACTOFERRIN, ...
Authors:Kumar, J, Weber, W, Munchau, S, Yadav, S, Singh, S.B, Sarvanan, K, Paramsivam, M, Sharma, S, Kaur, P, Bhushan, A, Srinivasan, A, Betzel, C, Singh, T.P.
Deposit date:2002-11-12
Release date:2003-02-18
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal Structure of human seminal lactoferrin at 3.4A resolution
Indian J.Biochem.Biophys., 40, 2003

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