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4ZY4
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BU of 4zy4 by Molmil
Crystal structure of P21 activated kinase 1 in complex with an inhibitor compound 4
Descriptor: 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Rouge, R, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
2FX6
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BU of 2fx6 by Molmil
bovine trypsin complexed with 2-aminobenzamidazole
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, Trypsin
Authors:Katz, B.A.
Deposit date:2006-02-03
Release date:2006-02-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FWW
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BU of 2fww by Molmil
human beta-tryptase II complexed with 4-piperidinebutyrate to make acylenzyme
Descriptor: 4-PIPERIDINEBUTYRATE, Tryptase beta-2
Authors:Katz, B.A.
Deposit date:2006-02-03
Release date:2006-02-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
6V3N
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BU of 6v3n by Molmil
Crystal structure of CDYL2 in complex with H3K27me3
Descriptor: ACE-GLN-LEU-ALA-THR-LYS-ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA-THR-TYR-NH2, Chromodomain Y-like protein 2, UNKNOWN ATOM OR ION
Authors:Qin, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2019-11-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
2FPZ
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BU of 2fpz by Molmil
Human tryptase with 2-amino benzimidazole
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, Tryptase beta-2
Authors:Somoza, J.R.
Deposit date:2006-01-17
Release date:2006-03-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FS8
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BU of 2fs8 by Molmil
Human beta-tryptase II with inhibitor CRA-29382
Descriptor: ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2
Authors:Somoza, J.R.
Deposit date:2006-01-21
Release date:2006-03-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
Descriptor: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
6O3N
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BU of 6o3n by Molmil
Cross-alpha Amyloid-like Structure alphaAmA
Descriptor: Cross-alpha Amyloid-like Structure alphaAmA
Authors:Zhang, S.-Q, Liu, L, DeGrado, W.F.
Deposit date:2019-02-26
Release date:2019-03-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures
Nat. Chem. Biol., 14, 2018
4PNE
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BU of 4pne by Molmil
Crystal Structure of the [4+2]-Cyclase SpnF
Descriptor: MALONATE ION, Methyltransferase-like protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Fage, C.D, Isiorho, E.A, Liu, Y.-N, Liu, H.-W, Keatinge-Clay, A.T.
Deposit date:2014-05-23
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structure of SpnF, a standalone enzyme that catalyzes [4 + 2] cycloaddition.
Nat.Chem.Biol., 11, 2015
5TCZ
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BU of 5tcz by Molmil
NMR solution structure of engineered Protoxin-II analog
Descriptor: Beta/omega-theraphotoxin-Tp2a
Authors:Gibbs, A.C, Wickenden, A.D.
Deposit date:2016-09-16
Release date:2017-01-18
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Insensitivity to pain induced by a potent selective closed-state Nav1.7 inhibitor.
Sci Rep, 7, 2017
3N9M
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BU of 3n9m by Molmil
ceKDM7A from C.elegans, alone
Descriptor: FE (II) ION, Putative uncharacterized protein, ZINC ION
Authors:Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
Deposit date:2010-05-31
Release date:2010-06-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
2FS9
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BU of 2fs9 by Molmil
Human beta tryptase II with inhibitor CRA-28427
Descriptor: ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE, Tryptase beta-2
Authors:Somoza, J.R.
Deposit date:2006-01-21
Release date:2006-03-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FXR
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BU of 2fxr by Molmil
human beta tryptase II complexed with activated ketone inhibitor CRA-29382
Descriptor: ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2
Authors:Katz, B.A.
Deposit date:2006-02-06
Release date:2006-02-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
6BAG
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BU of 6bag by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-12
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB0
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BU of 6bb0 by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
7EXA
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BU of 7exa by Molmil
Structure of mumps virus nucleoprotein without C-arm
Descriptor: Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3')
Authors:Shen, Q, Shan, H, Zhang, N, Qin, Y.
Deposit date:2021-05-26
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural plasticity of mumps virus nucleocapsids with cryo-EM structures.
Commun Biol, 4, 2021
6BAZ
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BU of 6baz by Molmil
Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAD
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BU of 6bad by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-12
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
4R89
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BU of 4r89 by Molmil
Crystal structure of paFAN1 - 5' flap DNA complex with Manganase
Descriptor: DNA (5'-D(P*AP*CP*CP*AP*GP*AP*CP*AP*CP*AP*CP*AP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ...
Authors:Cho, Y, Gwon, G.H, Kim, Y.R.
Deposit date:2014-08-30
Release date:2014-10-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (4.002 Å)
Cite:Crystal structure of a Fanconi anemia-associated nuclease homolog bound to 5' flap DNA: basis of interstrand cross-link repair by FAN1
Genes Dev., 28, 2014
8WB6
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BU of 8wb6 by Molmil
Cryo-EM structure of Snf7 N-terminal domain in outer coils of spiral polymers
Descriptor: SNF7 isoform 1
Authors:Liu, M.D, Shen, Q.T.
Deposit date:2023-09-08
Release date:2024-05-29
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Three-dimensional architecture of ESCRT-III flat spirals on the membrane.
Proc.Natl.Acad.Sci.USA, 121, 2024
8WB7
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BU of 8wb7 by Molmil
CryoEM structure of Snf7 N-terminal domain in the inner coils of spiral
Descriptor: SNF7 isoform 1
Authors:Liu, M.D, Shen, Q.T.
Deposit date:2023-09-08
Release date:2024-05-29
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Three-dimensional architecture of ESCRT-III flat spirals on the membrane.
Proc.Natl.Acad.Sci.USA, 121, 2024
4R8A
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BU of 4r8a by Molmil
Crystal structure of paFAN1 - 5' flap DNA complex
Descriptor: DNA (5'-D(P*AP*CP*CP*AP*GP*AP*CP*AP*CP*AP*CP*AP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*A)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ...
Authors:Cho, Y, Gwon, G.H, Kim, Y.R.
Deposit date:2014-08-30
Release date:2014-10-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a Fanconi anemia-associated nuclease homolog bound to 5' flap DNA: basis of interstrand cross-link repair by FAN1
Genes Dev., 28, 2014
6IXM
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BU of 6ixm by Molmil
Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49 complexed with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Short-chain dehydrogenase reductase
Authors:Zhao, F.J, Jin, Y, Liu, Z.C, Wang, G.G, Wu, Z.L.
Deposit date:2018-12-11
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structure-guided engineering of ChKRED20 from Chryseobacterium sp. CA49 for asymmetric reduction of aryl ketoesters.
Enzyme Microb. Technol., 125, 2019
7TXI
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BU of 7txi by Molmil
Cryo-EM of A. pernix flagellum
Descriptor: Probable flagellin 1
Authors:Wang, F, Cvirkaite-Krupovic, V, Baquero, D.P, Krupovic, M, Egelman, E.H.
Deposit date:2022-02-09
Release date:2022-06-01
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The evolution of archaeal flagellar filaments.
Proc.Natl.Acad.Sci.USA, 120, 2023
3HW3
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BU of 3hw3 by Molmil
The crystal structure of avian influenza virus PA_N in complex with UMP
Descriptor: MAGNESIUM ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
Authors:Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
Deposit date:2009-06-17
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009

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