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8QVF
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BU of 8qvf by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
Descriptor: 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea, Bifunctional epoxide hydrolase 2
Authors:Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
Deposit date:2023-10-18
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Exploring serial crystallography for drug discovery.
Iucrj, 2024
6DL4
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BU of 6dl4 by Molmil
Human Titin ZIg10
Descriptor: Titin
Authors:Wright, N.T.
Deposit date:2018-05-31
Release date:2019-08-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Insights on the Obscurin-Binding Domains in Titin.
Protein Pept.Lett., 25, 2018
7N7C
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BU of 7n7c by Molmil
crystal structure of the N-formyltransferase HCAN_0200 from helicobacter canadensis in complex with folinic acid and dTDP-3-aminoquinovose
Descriptor: 1,2-ETHANEDIOL, Formyl_trans_N domain-containing protein, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ...
Authors:Heisdorf, C.J, Thoden, J.B, Holden, H.M.
Deposit date:2021-06-10
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis.
Protein Sci., 30, 2021
8QRW
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BU of 8qrw by Molmil
ASCT2 protomer in lipid nanodiscs under low Na+ concentration in the intermediate outward-facing state (iOFS-up)
Descriptor: Neutral amino acid transporter B(0), SODIUM ION
Authors:Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J.
Deposit date:2023-10-09
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Nat Commun, 15, 2024
8QVH
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BU of 8qvh by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
Descriptor: 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Bifunctional epoxide hydrolase 2
Authors:Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
Deposit date:2023-10-18
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Exploring serial crystallography for drug discovery.
Iucrj, 2024
8QRR
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BU of 8qrr by Molmil
ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS.3)
Descriptor: GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION
Authors:Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J.
Deposit date:2023-10-09
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Nat Commun, 15, 2024
8QWG
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BU of 8qwg by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
Descriptor: Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL
Authors:Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
Deposit date:2023-10-19
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploring serial crystallography for drug discovery.
Iucrj, 2024
8ET3
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BU of 8et3 by Molmil
Cryo-EM structure of a delivery complex containing the SspB adaptor, an ssrA-tagged substrate, and the AAA+ ClpXP protease
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, ...
Authors:Ghanbarpour, A, Fei, X, Davis, J.H, Sauer, R.T.
Deposit date:2022-10-16
Release date:2023-01-25
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The SspB adaptor drives structural changes in the AAA+ ClpXP protease during ssrA-tagged substrate delivery.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EU4
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BU of 8eu4 by Molmil
Escherichia coli pyruvate kinase A301S
Descriptor: Pyruvate kinase, SULFATE ION
Authors:Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
Deposit date:2022-10-18
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8EZI
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BU of 8ezi by Molmil
A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with separated sulfite and NPN
Descriptor: 1,2-ETHANEDIOL, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, CALCIUM ION, ...
Authors:Gatreddi, S, Hausinger, R.P, Hu, J.
Deposit date:2022-10-31
Release date:2023-01-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
7NNQ
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BU of 7nnq by Molmil
Crystal structure of Mycobacterium tuberculosis ArgC in complex with nicotinamide adenine dinucleotide phosphate (NADP+)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gupta, P, Mendes, V, Blundell, T.L.
Deposit date:2021-02-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
6DOF
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BU of 6dof by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 540 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
8QRP
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BU of 8qrp by Molmil
ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS.1)
Descriptor: GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION
Authors:Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J.
Deposit date:2023-10-09
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Nat Commun, 15, 2024
6DOT
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BU of 6dot by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Rb+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.423 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
8QRU
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BU of 8qru by Molmil
ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the intermediate outward-facing state (iOFS-down)
Descriptor: GLUTAMINE, Neutral amino acid transporter B(0)
Authors:Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J.
Deposit date:2023-10-09
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Nat Commun, 15, 2024
4KJZ
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BU of 4kjz by Molmil
Crystal Structure of Thermus Thermophilus IF2, Apo and GDP-bound Forms (2-474)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Translation initiation factor IF-2
Authors:Eiler, D.R, Lin, J, Steitz, T.A.
Deposit date:2013-05-04
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Initiation factor 2 crystal structure reveals a different domain organization from eukaryotic initiation factor 5B and mechanism among translational GTPases.
Proc.Natl.Acad.Sci.USA, 110, 2013
6DPA
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BU of 6dpa by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 4 mM Mn2+ and 200 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DPL
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BU of 6dpl by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with an RNA/DNA Hybrid: Reaction in 10 mM Mg2+ and 200 mM Rb+ for 720 s at 21 C
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
8QRS
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BU of 8qrs by Molmil
ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the intermediate outward-facing state (iOFS-up)
Descriptor: GLUTAMINE, Neutral amino acid transporter B(0)
Authors:Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J.
Deposit date:2023-10-09
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Nat Commun, 15, 2024
6DQD
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BU of 6dqd by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:To be determined
To Be Published
8QVL
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BU of 8qvl by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
Descriptor: 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, Bifunctional epoxide hydrolase 2, DIMETHYL SULFOXIDE, ...
Authors:Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
Deposit date:2023-10-18
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Exploring serial crystallography for drug discovery.
Iucrj, 2024
8EZH
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BU of 8ezh by Molmil
A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with sulfite-NPN adduct
Descriptor: (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Gatreddi, S, Hausinger, R.P, Hu, J.
Deposit date:2022-10-31
Release date:2023-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
4KLX
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BU of 4klx by Molmil
Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation.
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydrofolate reductase
Authors:Dias, M.V.B, Tyrakis, P, Blundell, T.L.
Deposit date:2013-05-07
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
6DR0
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BU of 6dr0 by Molmil
Class 5 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION
Authors:Hite, R.K, Paknejad, N.
Deposit date:2018-06-11
Release date:2018-08-01
Last modified:2018-08-15
Method:ELECTRON MICROSCOPY (4.47 Å)
Cite:Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
8QRO
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BU of 8qro by Molmil
ASCT2 trimer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS)
Descriptor: GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION
Authors:Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J.
Deposit date:2023-10-09
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Nat Commun, 15, 2024

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PDB entries from 2024-08-21

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