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3O50
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BU of 3o50 by Molmil
Crystal structure of benzamide 9 bound to AuroraA
Descriptor: N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6
Authors:Huang, X.
Deposit date:2010-07-27
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
3O51
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BU of 3o51 by Molmil
Crystal structure of anthranilamide 10 bound to AuroraA
Descriptor: N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6
Authors:Huang, X.
Deposit date:2010-07-27
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
3Q6W
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BU of 3q6w by Molmil
Structure of dually-phosphorylated MET receptor kinase in complex with an MK-2461 analog with specificity for the activated receptor
Descriptor: 3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide, Hepatocyte growth factor receptor
Authors:Soisson, S.M, Rickert, K.W, Patel, S.B, Lumb, K.J.
Deposit date:2011-01-03
Release date:2011-01-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for selective small molecule kinase inhibition of activated c-Met.
J.Biol.Chem., 286, 2011
3QOR
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BU of 3qor by Molmil
Crystal structure of human nuclear migration protein NudC
Descriptor: ACETATE ION, Nuclear migration protein nudC
Authors:Derewenda, U, Derewenda, Z, Zheng, M.
Deposit date:2011-02-10
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Structural Features and Chaperone Activity of the NudC Protein Family.
J.Mol.Biol., 409, 2011
3Q6U
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BU of 3q6u by Molmil
Structure of the apo MET receptor kinase in the dually-phosphorylated, activated state
Descriptor: Hepatocyte growth factor receptor
Authors:Soisson, S.M, Rickert, K.W, Patel, S.B, Allison, T, Lumb, K.J.
Deposit date:2011-01-03
Release date:2011-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for selective small molecule kinase inhibition of activated c-Met.
J.Biol.Chem., 286, 2011
3QN1
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BU of 3qn1 by Molmil
Crystal structure of the PYR1 Abscisic Acid receptor in complex with the HAB1 type 2C phosphatase catalytic domain
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ...
Authors:Betz, K, Dupeux, F, Santiago, J, Marquez, J.A.
Deposit date:2011-02-07
Release date:2011-03-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulation of Abscisic Acid Signaling in Vivo by an Engineered Receptor-Insensitive Protein Phosphatase Type 2C Allele.
Plant Physiol., 156, 2011
3R7O
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BU of 3r7o by Molmil
Structure of dually phosphorylated c-MET receptor kinase in complex with an MK-2461 analog
Descriptor: Hepatocyte growth factor receptor, N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide
Authors:Soisson, S.M, Rickert, K, Patel, S.B, Munshi, S, Lumb, K.J.
Deposit date:2011-03-22
Release date:2012-02-01
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for selective small molecule kinase inhibition of activated c-Met.
J.Biol.Chem., 286, 2011
3SDP
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BU of 3sdp by Molmil
THE 2.1 ANGSTROMS RESOLUTION STRUCTURE OF IRON SUPEROXIDE DISMUTASE FROM PSEUDOMONAS OVALIS
Descriptor: FE (III) ION, IRON SUPEROXIDE DISMUTASE
Authors:Stoddard, B.L, Ringe, D, Petsko, G.A.
Deposit date:1991-05-06
Release date:1993-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 2.1-A resolution structure of iron superoxide dismutase from Pseudomonas ovalis.
Biochemistry, 29, 1990
4YIX
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BU of 4yix by Molmil
Structure of MRB1590 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MERCURY (II) ION, ...
Authors:Shaw, P.L.R, Schumacher, M.A.
Deposit date:2015-03-02
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Nucleic Acids Res., 43, 2015
4YHJ
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BU of 4yhj by Molmil
Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4 (GRK4)
Descriptor: AMP PHOSPHORAMIDATE, G protein-coupled receptor kinase 4
Authors:Allen, S.J, Parthasarathy, G, Soisson, S, Munshi, S.
Deposit date:2015-02-27
Release date:2015-07-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4.
J.Biol.Chem., 290, 2015
4YIY
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BU of 4yiy by Molmil
Structure of MRB1590 bound to AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, kRNA Editing A6 Specific Protein
Authors:Shaw, P.L.R, Schumacher, M.A.
Deposit date:2015-03-02
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.016 Å)
Cite:Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Nucleic Acids Res., 43, 2015
4YJ1
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BU of 4yj1 by Molmil
Crystal structure of T. brucei MRB1590-ADP bound to poly-U RNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Uncharacterized protein
Authors:Schumacher, M.A.
Deposit date:2015-03-03
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Nucleic Acids Res., 43, 2015
5A4X
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BU of 5a4x by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions and Zn
Descriptor: AT3G17980, CALCIUM ION, ZINC ION
Authors:Diaz, M, Albert, A.
Deposit date:2015-06-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
5A51
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BU of 5a51 by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions and phophatidyl serine
Descriptor: AT3G17980, CALCIUM ION, PHOSPHOSERINE
Authors:Diaz, M, Albert, A.
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
5A50
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BU of 5a50 by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions, Zn and Phopho Choline
Descriptor: AT3G17980, CALCIUM ION, PHOSPHOCHOLINE, ...
Authors:Diaz, M, Albert, A.
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
5A52
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BU of 5a52 by Molmil
The crystal structure of Arabidopsis thaliana CAR1 in complex with one calcium ion
Descriptor: CALCIUM ION, CALCIUM-DEPENDENT LIPID-BINDING DOMAIN-CONTAINING PROTEIN, GLYCEROL, ...
Authors:Fernandez, D, Marquez, J.A.
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
5BWU
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BU of 5bwu by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.17A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TRIAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWW
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BU of 5bww by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.82A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRROLIDINE AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWV
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BU of 5bwv by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.86A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWT
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BU of 5bwt by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
Descriptor: 1,2-ETHANEDIOL, 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWX
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BU of 5bwx by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.70A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 4-CHLORO-2-FLUORO SUBSTITUTED PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWR
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BU of 5bwr by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
Descriptor: 1,2-ETHANEDIOL, 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
1DVI
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BU of 1dvi by Molmil
CALPAIN DOMAIN VI WITH CALCIUM BOUND
Descriptor: CALCIUM ION, CALPAIN
Authors:Cygler, M, Blanchard, H, Grochulski, P.
Deposit date:1997-05-15
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes.
Nat.Struct.Biol., 4, 1997
1HPO
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BU of 1hpo by Molmil
HIV-1 PROTEASE TRIPLE MUTANT/U103265 COMPLEX
Descriptor: 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE, HIV-1 PROTEASE
Authors:Watenpaugh, K.D, Janakiraman, M.N.
Deposit date:1996-12-10
Release date:1997-04-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
1UG4
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BU of 1ug4 by Molmil
Crystal Structure of Cardiotoxin VI from Taiwan Cobra (Naja atra) Venom
Descriptor: Cytotoxin 6
Authors:Chung, F.-Y, Wu, W.-G, Chen, C.-J.
Deposit date:2003-06-12
Release date:2005-02-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural difference between group I and group II cobra cardiotoxins: X-ray, NMR, and CD analysis of the effect of cis-proline conformation on three-fingered toxins.
Biochemistry, 44, 2005

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