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7WH1
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BU of 7wh1 by Molmil
structure of C elegans BCMO-2
Descriptor: Beta-Carotene 15,15'-MonoOxygenase, FE (III) ION, GLYCEROL, ...
Authors:Pan, W, Liu, L.
Deposit date:2021-12-29
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Analysis of Nonheme Iron Enzymes BCMO-1 and BCMO-2 from Caenorhabditis elegans .
Front Mol Biosci, 9, 2022
7WH0
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BU of 7wh0 by Molmil
structure of C elegans BCMO-1
Descriptor: Beta-Carotene 15,15'-MonoOxygenase, FE (III) ION, GLYCEROL, ...
Authors:Pan, W, Liu, L.
Deposit date:2021-12-29
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Analysis of Nonheme Iron Enzymes BCMO-1 and BCMO-2 from Caenorhabditis elegans .
Front Mol Biosci, 9, 2022
5YAZ
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BU of 5yaz by Molmil
Crystal structure of the ANKRD domain of KANK1
Descriptor: ACETATE ION, KN motif and ankyrin repeat domains 1
Authors:Wei, Z, Pan, W.
Deposit date:2017-09-02
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into ankyrin repeat-mediated recognition of the kinesin motor protein KIF21A by KANK1, a scaffold protein in focal adhesion.
J. Biol. Chem., 293, 2018
5YAY
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BU of 5yay by Molmil
Crystal structure of KANK1/KIF21A complex
Descriptor: KN motif and ankyrin repeat domains 1, Kinesin-like protein KIF21A
Authors:Wei, Z, Pan, W.
Deposit date:2017-09-02
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights into ankyrin repeat-mediated recognition of the kinesin motor protein KIF21A by KANK1, a scaffold protein in focal adhesion.
J. Biol. Chem., 293, 2018
7DDX
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BU of 7ddx by Molmil
Crystal structure of KANK1 S1179F mutant in complex wtih eIF4A1
Descriptor: Eukaryotic initiation factor 4A-I, GLYCEROL, KN motif and ankyrin repeat domains 1, ...
Authors:Pan, W, Xu, Y, Wei, Z.
Deposit date:2020-10-30
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nephrotic-syndrome-associated mutation of KANK2 induces pathologic binding competition with physiological interactor KIF21A.
J.Biol.Chem., 297, 2021
7WXZ
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BU of 7wxz by Molmil
Crystal structure of the recombinant protein HR121 from the S2 protein of SARS-CoV-2
Descriptor: Spike protein S2'
Authors:Zheng, Y.T, Ouyang, S, Pang, W, Lu, Y, Zhao, Y.B.
Deposit date:2022-02-15
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A variant-proof SARS-CoV-2 vaccine targeting HR1 domain in S2 subunit of spike protein.
Cell Res., 32, 2022
1HFP
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BU of 1hfp by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
1HFQ
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BU of 1hfq by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
1HFR
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BU of 1hfr by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
4K47
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BU of 4k47 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct
Descriptor: Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
Authors:Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
4K48
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BU of 4k48 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain
Descriptor: Leucine--tRNA ligase
Authors:Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
2AXE
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BU of 2axe by Molmil
IODINATED COMPLEX OF ACETYL XYLAN ESTERASE AT 1.80 ANGSTROMS
Descriptor: ACETYL XYLAN ESTERASE, SULFATE ION
Authors:Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J.
Deposit date:1998-09-01
Release date:1999-05-18
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase.
Acta Crystallogr.,Sect.D, 55, 1999
5ZTE
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BU of 5zte by Molmil
Crystal structure of PrxA C119S mutant from Arabidopsis thaliana
Descriptor: 2-Cys peroxiredoxin BAS1, chloroplastic
Authors:Yang, Y, Cai, W, Wang, J, Pan, W, Liu, L, Wang, M, Zhang, M.
Deposit date:2018-05-03
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Arabidopsis thaliana peroxiredoxin A C119S mutant.
Acta Crystallogr F Struct Biol Commun, 74, 2018
2NAE
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BU of 2nae by Molmil
Membrane-bound mouse CD28 cytoplasmic tail
Descriptor: T-cell-specific surface glycoprotein CD28
Authors:Li, H, Xu, C, Pan, W.
Deposit date:2015-12-23
Release date:2016-12-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dynamic regulation of CD28 conformation and signaling by charged lipids and ions.
Nat.Struct.Mol.Biol., 24, 2017
1CD2
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BU of 1cd2 by Molmil
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1999-03-05
Release date:2000-03-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
8X23
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BU of 8x23 by Molmil
The Crystal Structure of MAPK13 from Biortus.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-11-09
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of MAPK13 from Biortus.
To Be Published
8X2T
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BU of 8x2t by Molmil
The Crystal Structure of FES from Biortus.
Descriptor: Tyrosine-protein kinase Fes/Fps
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-11-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Crystal Structure of FES from Biortus.
To Be Published
8X2A
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BU of 8x2a by Molmil
The Crystal Structure of BMX from Biortus.
Descriptor: 1,2-ETHANEDIOL, 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, CHLORIDE ION, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-11-09
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Crystal Structure of BMX from Biortus.
To Be Published
8X5L
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BU of 8x5l by Molmil
The Crystal Structure of PRKACA from Biortus.
Descriptor: (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W.
Deposit date:2023-11-17
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Crystal Structure of PRKACA from Biortus.
To Be Published
8YVV
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BU of 8yvv by Molmil
The Crystal Structure of BTK from Biortus
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2024-03-29
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Crystal Structure of BTK from Biortus.
To Be Published
8ZGD
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BU of 8zgd by Molmil
The Crystal Structure of the NLRP1_LRR domain from Biortus.
Descriptor: GLYCEROL, NACHT, LRR and PYD domains-containing protein 1, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Pan, W.
Deposit date:2024-05-09
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Crystal Structure of the NLRP1_LRR domain from Biortus.
To Be Published
8ZKD
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BU of 8zkd by Molmil
The Crystal Structure of the RON from Biortus.
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Macrophage-stimulating protein receptor beta chain, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Pan, W.
Deposit date:2024-05-16
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Crystal Structure of the RON from Biortus.
To Be Published
8XFY
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BU of 8xfy by Molmil
The Crystal Structure of RSK2 from Biortus.
Descriptor: 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol, Ribosomal protein S6 kinase alpha-3
Authors:Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W.
Deposit date:2023-12-14
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Crystal Structure of RSK2 from Biortus.
To Be Published
8WSW
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BU of 8wsw by Molmil
The Crystal Structure of LIMK2a from Biortus
Descriptor: 1,2-ETHANEDIOL, LIM domain kinase 2, ~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-10-17
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Crystal Structure of LIMK2a from Biortus.
To Be Published
1BOZ
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BU of 1boz by Molmil
STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS
Descriptor: N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (DIHYDROFOLATE REDUCTASE)
Authors:Gangjee, A, Vidwans, A.P, Vasudevan, A, Queener, S.F, Kisliuk, R.L, Cody, V, Li, R, Galitsky, N, Luft, J.R, Pangborn, W.
Deposit date:1998-08-06
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents.
J.Med.Chem., 41, 1998

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