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4REA
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BU of 4rea by Molmil
A Nuclease DNA complex
Descriptor: DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), ...
Authors:Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y.
Deposit date:2014-09-22
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.81 Å)
Cite:Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
4RCV
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BU of 4rcv by Molmil
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase bound to 1-deoxy-L-erythrulose
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 1-deoxy-L-erythrulose, MANGANESE (II) ION, ...
Authors:Gulick, A.M, Allen, C.L, Kholodar, S.A, Murkin, A.S.
Deposit date:2014-09-17
Release date:2015-03-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:The role of phosphate in a multistep enzymatic reaction: reactions of the substrate and intermediate in pieces.
J.Am.Chem.Soc., 137, 2015
4RF4
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BU of 4rf4 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir
Descriptor: MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
Authors:Tang, Y, Tibrewal, N, Cascio, D.
Deposit date:2014-09-24
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RFL
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BU of 4rfl by Molmil
Crystal structure of G1PDH with NADPH from Methanocaldococcus jannaschii
Descriptor: 1,2-ETHANEDIOL, Glycerol-1-phosphate dehydrogenase [NAD(P)+], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
Deposit date:2014-09-26
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
4RGW
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BU of 4rgw by Molmil
Crystal Structure of a TAF1-TAF7 Complex in Human Transcription Factor IID
Descriptor: GLYCEROL, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 7
Authors:Wang, H, Curran, E.C, Hinds, T.R, Wang, E.H, Zheng, N.
Deposit date:2014-09-30
Release date:2014-12-03
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Crystal structure of a TAF1-TAF7 complex in human transcription factor IID reveals a promoter binding module.
Cell Res., 24, 2014
4RGQ
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BU of 4rgq by Molmil
Crystal structure of the Methanocaldococcus jannaschii G1PDH with NADPH and DHAP
Descriptor: 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, Glycerol-1-phosphate dehydrogenase, ...
Authors:Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
Deposit date:2014-09-30
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
4RGV
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BU of 4rgv by Molmil
Crystal structure of the Methanocaldococcus jannaschii G1PDH
Descriptor: Glycerol-1-phosphate dehydrogenase, MAGNESIUM ION, ZINC ION
Authors:Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
Deposit date:2014-09-30
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
4R54
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BU of 4r54 by Molmil
Complex crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with 3-carboxy-ethyl-phthalic acid
Descriptor: 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2014-08-20
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
5UJD
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BU of 5ujd by Molmil
SbnI from Staphylococcus pseudintermedius
Descriptor: FORMIC ACID, Siderophore biosynthesis protein SbnI
Authors:Murphy, M.E.P, Verstraete, M.M.
Deposit date:2017-01-17
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The heme-sensitive regulator SbnI has a bifunctional role in staphyloferrin B production by Staphylococcus aureus .
J.Biol.Chem., 294, 2019
4RIA
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BU of 4ria by Molmil
FAN1 Nuclease bound to 5' phosphorylated nicked DNA
Descriptor: BARIUM ION, DNA (5'-D(*TP*TP*TP*TP*TP*TP*G*AP*GP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*AP*GP*AP*CP*TP*CP*CP*TP*C)-3'), ...
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
4RID
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BU of 4rid by Molmil
Human FAN1 nuclease
Descriptor: Fanconi-associated nuclease 1
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
5KLB
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BU of 5klb by Molmil
Crystal structure of the CavAb voltage-gated calcium channel(wild-type, 2.7A)
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CALCIUM ION, ...
Authors:Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2016-06-23
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs.
Nature, 537, 2016
4RIC
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BU of 4ric by Molmil
FAN1 Nuclease bound to 5' hydroxyl (dT-dT) single flap DNA
Descriptor: CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*GP*GP*AP*GP*TP*CP*T)-3'), DNA (5'-D(*TP*TP*AP*GP*CP*CP*AP*CP*GP*CP*CP*TP*AP*GP*AP*CP*TP*CP*CP*TP*C)-3'), ...
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
4RI9
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BU of 4ri9 by Molmil
FAN1 Nuclease bound to 5' phosphorylated p(dT)/3'(dT-dT-dT-dT-dT-dT-dT-dT) double flap DNA
Descriptor: BARIUM ION, DNA (5'-D(*TP*TP*TP*TP*TP*TP*GP*AP*GP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*AP*GP*AP*CP*TP*CP*CP*TP*CP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ...
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
4RIB
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BU of 4rib by Molmil
FAN1 Nuclease bound to 5' phosphorylated p(dT) single flap DNA
Descriptor: CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*GP*GP*AP*GP*TP*CP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*GP*AP*GP*GP*CP*GP*TP*G)-3'), ...
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
4RI8
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BU of 4ri8 by Molmil
FAN1 Nuclease bound to 5' phosphorylated p(dG)/3'(dT-dT-dT-dT) double flap DNA
Descriptor: CALCIUM ION, DNA (5'-D(*AP*AP*CP*AP*CP*GP*CP*CP*TP*AP*GP*AP*CP*TP*CP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*TP*GP*AP*GP*GP*AP*GP*TP*CP*TP*TP*T)-3'), ...
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
5KLS
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BU of 5kls by Molmil
Structure of CavAb in complex with Br-dihydropyridine derivative UK-59811
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ...
Authors:Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2016-06-25
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.299 Å)
Cite:Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs.
Nature, 537, 2016
5KMH
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BU of 5kmh by Molmil
Structure of CavAb in complex with Br-verapamil
Descriptor: (2~{R})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile, 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ...
Authors:Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2016-06-27
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs.
Nature, 537, 2016
4RJT
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BU of 4rjt by Molmil
Crystal Structure of Unliganded, Full Length hUGDH at pH 7.0
Descriptor: CHLORIDE ION, UDP-glucose 6-dehydrogenase
Authors:Sidlo, A.M, Wood, Z.A.
Deposit date:2014-10-09
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Hysteresis in Human UDP-Glucose Dehydrogenase Is Due to a Restrained Hexameric Structure That Favors Feedback Inhibition.
Biochemistry, 53, 2014
5KPM
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BU of 5kpm by Molmil
Glycogen Synthase Kinase 3 beta Complexed with BRD3731
Descriptor: (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
Authors:Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K.
Deposit date:2016-07-04
Release date:2018-03-14
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
5KPL
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BU of 5kpl by Molmil
Glycogen Synthase Kinase 3 beta Complexed with BRD0705
Descriptor: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
Authors:Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K.
Deposit date:2016-07-04
Release date:2018-03-14
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
5KML
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BU of 5kml by Molmil
TrkA JM-kinase with 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
Descriptor: 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4RKI
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BU of 4rki by Molmil
Crystal structure of sliding beta clamp from Helicobacter pylori
Descriptor: DNA polymerase III subunit beta
Authors:Satyawali, P, Tarique, K.F, Abdul Rehman, S.A, Gourinath, S.
Deposit date:2014-10-13
Release date:2016-01-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insight into beta-Clamp and its interaction with DNA Ligase in Helicobacter pylori.
Sci Rep, 6, 2016
4RQ0
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BU of 4rq0 by Molmil
Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dCTP soaked with MgCl2 for 80 s
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ACETATE ION, CHLORIDE ION, ...
Authors:Vyas, R, Suo, Z.
Deposit date:2014-10-31
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography.
J.Am.Chem.Soc., 137, 2015
4RRY
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BU of 4rry by Molmil
Crystal Structure of Apo Murine H90W Cyclooxygenase-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ...
Authors:Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J.
Deposit date:2014-11-06
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.429 Å)
Cite:Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290, 2015

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