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PDB: 56523 results

8Q3C
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BU of 8q3c by Molmil
Structure of Selenomonas ruminantium lactate dehydrogenase I85R mutant
Descriptor: CHLORIDE ION, L-lactate dehydrogenase, NITRATE ION, ...
Authors:Bertrand, Q, Coquille, S, Iorio, A, Sterpone, F, Madern, D.
Deposit date:2023-08-03
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases.
J.Struct.Biol., 215, 2023
8QFH
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BU of 8qfh by Molmil
Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
Authors:Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
Deposit date:2023-09-04
Release date:2023-11-01
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
4EBW
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BU of 4ebw by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor
Descriptor: 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1
Authors:Iwatani, M, Iwata, H, Okabe, A, Skene, R.J, Tomita, N, Hayashi, Y, Aramaki, Y, Hosfield, D.J, Hori, A, Baba, A, Miki, H.
Deposit date:2012-03-25
Release date:2012-07-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
8QFJ
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BU of 8qfj by Molmil
Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 2.3 us delay
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
Authors:Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
Deposit date:2023-09-04
Release date:2023-11-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
7NXU
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BU of 7nxu by Molmil
Crystal structure of the tick-borne encephalitis virus NS3 helicase in complex with ADP-Pi
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, NS3 helicase domain, ...
Authors:Anindita, P.D, Grinkevich, P, Franta, Z.
Deposit date:2021-03-19
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanistic insight into the RNA-stimulated ATPase activity of tick-borne encephalitis virus helicase.
J.Biol.Chem., 298, 2022
8QFE
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BU of 8qfe by Molmil
Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC
Descriptor: FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, MAGNESIUM ION
Authors:Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
Deposit date:2023-09-04
Release date:2023-11-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8V1S
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BU of 8v1s by Molmil
Herpes simplex virus 1 polymerase holoenzyme bound to mismatched DNA in editing conformation
Descriptor: DNA polymerase, DNA polymerase processivity factor, MAGNESIUM ION, ...
Authors:Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J.
Deposit date:2023-11-21
Release date:2024-09-04
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance.
Cell, 187, 2024
3KYR
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BU of 3kyr by Molmil
Bace-1 in complex with a norstatine type inhibitor
Descriptor: 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1
Authors:Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S.
Deposit date:2009-12-07
Release date:2010-12-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs
To be Published
8QFI
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BU of 8qfi by Molmil
Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 1.8 us delay
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
Authors:Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Sato, T, Round, A, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
Deposit date:2023-09-04
Release date:2023-11-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
6ZPA
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BU of 6zpa by Molmil
Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dA and one catalytic Zn2+ ion
Descriptor: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, DatZ, LITHIUM ION, ...
Authors:Czernecki, D, Legrand, P, Delarue, M.
Deposit date:2020-07-08
Release date:2021-03-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (0.86000258 Å)
Cite:How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.
Nat Commun, 12, 2021
8BHU
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BU of 8bhu by Molmil
Crystal Structure of SilF (Ag(I) form
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SILVER ION, SULFATE ION, ...
Authors:Lithgo, R.M, Carr, S.B, Quigley, A.M, Scott, D.J.
Deposit date:2022-11-01
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of SilF (apo form)
To Be Published
8QFF
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BU of 8qff by Molmil
Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
Authors:Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
Deposit date:2023-09-11
Release date:2023-11-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
6ZPC
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BU of 6zpc by Molmil
Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DatZ, LITHIUM ION, ...
Authors:Czernecki, D, Legrand, P, Delarue, M.
Deposit date:2020-07-08
Release date:2021-03-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.2683593 Å)
Cite:How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.
Nat Commun, 12, 2021
7NFO
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BU of 7nfo by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17C.
Descriptor: CC-Type2-(LaId)4-I17C
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
8BIT
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BU of 8bit by Molmil
Crystal structure of acyl-CoA synthetase from Metallosphaera sedula in complex with Coenzyme A and acetyl-AMP
Descriptor: 4-hydroxybutyrate--CoA ligase 1, COENZYME A, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
Authors:Capra, N, Thunnissen, A.M.W.H, Janssen, D.B.
Deposit date:2022-11-02
Release date:2023-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering
Front Catal, 4, 2024
6ZP9
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BU of 6zp9 by Molmil
Cyanophage S-2L Primase-Polymerase (PrimPol), AEP domain (PP-N190)
Descriptor: CALCIUM ION, PrimPol AEP domain (PP-N190)
Authors:Czernecki, D, Legrand, P, Delarue, M.
Deposit date:2020-07-08
Release date:2021-03-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.50002229 Å)
Cite:How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.
Nat Commun, 12, 2021
6ZPB
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BU of 6zpb by Molmil
Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dA and two catalytic Co2+ ions
Descriptor: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, COBALT (II) ION, DatZ
Authors:Czernecki, D, Legrand, P, Delarue, M.
Deposit date:2020-07-08
Release date:2021-03-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.72097385 Å)
Cite:How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.
Nat Commun, 12, 2021
7NFF
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BU of 7nff by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24A.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-(LaId)4-I24A, GLYCEROL
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFL
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BU of 7nfl by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24N.
Descriptor: CC-Type2-(LaId)4-I24N
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
6XO1
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BU of 6xo1 by Molmil
Crystal structure of N97A mutant of human CEACAM1
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID
Authors:Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S.
Deposit date:2020-07-05
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium.
Commun Biol, 4, 2021
8BJR
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BU of 8bjr by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase
Descriptor: Alginate lyase, SULFATE ION
Authors:Fredslund, F, Welner, D.H, Wilkens, C.
Deposit date:2022-11-06
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of Paradendryphiella salina PL7C alginate lyase
To Be Published
8RS3
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BU of 8rs3 by Molmil
Thaumatin measured via serial crystallography from a kapton HARE-chip (50 micron)
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Bosman, R, Prester, A, von Soosten, L, Dibenedetto, S, Bartels, K, Sung, S, von Stetten, D, Mehrabi, P, Schulz, E.C.
Deposit date:2024-01-24
Release date:2025-02-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Kapton-based HARE chips for fixed-target serial crystallography
To Be Published
7NFK
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BU of 7nfk by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24S.
Descriptor: CC-Type2-(LaId)4-I24S, ISOPROPYL ALCOHOL
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
6IZV
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BU of 6izv by Molmil
Averaged strand structure of a 15-stranded ParM filament from Clostridium botulinum
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative plasmid segregation protein ParM
Authors:Koh, F, Narita, A, Lee, L.J, Tan, Y.Z, Dandey, V.P, Tanaka, K, Popp, D, Robinson, R.C.
Deposit date:2018-12-20
Release date:2019-06-19
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:The structure of a 15-stranded actin-like filament from Clostridium botulinum.
Nat Commun, 10, 2019
6MUR
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BU of 6mur by Molmil
Cryo-EM structure of Csm-crRNA-target RNA ternary complex in type III-A CRISPR-Cas system
Descriptor: RNA (27-MER), RNA (5'-R(P*GP*CP*AP*AP*AP*CP*CP*GP*CP*CP*UP*CP*UP*GP*CP*CP*CP*GP*C)-3'), Uncharacterized protein, ...
Authors:Jia, N, Wang, C, Eng, E.T, Patel, D.J.
Deposit date:2018-10-23
Release date:2018-12-12
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Type III-A CRISPR-Cas Csm Complexes: Assembly, Periodic RNA Cleavage, DNase Activity Regulation, and Autoimmunity.
Mol. Cell, 73, 2019

239149

数据于2025-07-23公开中

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