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6TX4
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BU of 6tx4 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
Descriptor: 1~{H}-pyridin-2-one, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX7
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BU of 6tx7 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PIPERIDONE
Descriptor: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX5
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BU of 6tx5 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE
Descriptor: 4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6T6X
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BU of 6t6x by Molmil
Structure of the Bottromycin epimerase BotH in complex with substrate
Descriptor: (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T70
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BU of 6t70 by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2 derivative
Descriptor: BotH, Bottromycin A2 derivative, CHLORIDE ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
7AM1
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BU of 7am1 by Molmil
Structure of yeast Ssd1, a pseudonuclease
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, Protein SSD1
Authors:Cook, A.G, Jayachandran, U.
Deposit date:2020-10-07
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Yeast Ssd1 is a non-enzymatic member of the RNase II family with an alternative RNA recognition site.
Nucleic Acids Res., 50, 2022
7BJ3
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BU of 7bj3 by Molmil
ScpA from Streptococcus pyogenes, S512A active site mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ...
Authors:Kagawa, T.F, O'Connell, M.R, Cooney, J.C.
Deposit date:2021-01-13
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enzyme kinetic and binding studies identify determinants of specificity for the immunomodulatory enzyme ScpA, a C5a inactivating bacterial protease.
Comput Struct Biotechnol J, 19, 2021
7BKC
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BU of 7bkc by Molmil
Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (dimeric, composite structure)
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, ...
Authors:Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J.
Deposit date:2021-01-15
Release date:2021-09-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes.
Science, 373, 2021
7OG1
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BU of 7og1 by Molmil
AP2 clathrin adaptor core in complex with cargo peptide and FCHO2
Descriptor: AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ...
Authors:Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J.
Deposit date:2021-05-05
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch.
Sci Adv, 8, 2022
7OHO
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BU of 7oho by Molmil
Crystal structure of AP2 FCHO2 chimera
Descriptor: AP-2 complex subunit alpha-2, AP-2 complex subunit beta,F-BAR domain only protein 2, AP-2 complex subunit mu, ...
Authors:Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J.
Deposit date:2021-05-11
Release date:2022-06-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch.
Sci Adv, 8, 2022
7OHZ
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BU of 7ohz by Molmil
Crystal structure of AP2 Mu2 - FCHO2 chimera (His6-tagged)
Descriptor: AP-2 complex subunit mu,F-BAR domain only protein 2
Authors:Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J.
Deposit date:2021-05-11
Release date:2022-06-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch.
Sci Adv, 8, 2022
7OI5
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BU of 7oi5 by Molmil
Crystal structure of AP2 Mu2 - FCHO2 chimera (GST cleaved)
Descriptor: AP-2 complex subunit mu,F-BAR domain only protein 2, GLYCEROL
Authors:Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J.
Deposit date:2021-05-11
Release date:2022-06-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch.
Sci Adv, 8, 2022
7OHI
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BU of 7ohi by Molmil
FCHO1-peptide-AP2 alpha ear complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AP-2 complex subunit alpha-2, F-BAR domain only protein 1, ...
Authors:Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J.
Deposit date:2021-05-11
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch.
Sci Adv, 8, 2022
7OUI
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BU of 7oui by Molmil
Structure of C2S2M2-type Photosystem supercomplex from Arabidopsis thaliana (digitonin-extracted)
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Graca, A.T, Hall, M, Persson, K, Schroder, W.P.
Deposit date:2021-06-11
Release date:2021-08-18
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:High-resolution model of Arabidopsis Photosystem II reveals the structural consequences of digitonin-extraction.
Sci Rep, 11, 2021
7OR2
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BU of 7or2 by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 4)
Descriptor: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
Authors:Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
Deposit date:2021-06-04
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7OSQ
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BU of 7osq by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)
Descriptor: 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
Authors:Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
Deposit date:2021-06-09
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7P0L
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BU of 7p0l by Molmil
Crystal structure of S.pombe Mdb1 BRCT domains in complex with a H2A phosphopeptide
Descriptor: DNA damage response protein Mdb1, Histone H2A-beta
Authors:Day, M, Oliver, A.W, Pearl, L.H.
Deposit date:2021-06-29
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Phosphorylation-dependent assembly of DNA damage response systems and the central roles of TOPBP1.
DNA Repair (Amst), 108, 2021
7OT7
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BU of 7ot7 by Molmil
sTIM11noCys-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 2)
Descriptor: sTIM11noCys-SB
Authors:Romero-Romero, S, Kordes, S, Hocker, B.
Deposit date:2021-06-09
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels.
Protein Sci., 31, 2022
7OT8
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BU of 7ot8 by Molmil
DeNovoTIM6-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 2)
Descriptor: DeNovoTIM6-SB, SULFATE ION
Authors:Kordes, S, Romero-Romero, S, Hocker, B.
Deposit date:2021-06-09
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels.
Protein Sci., 31, 2022
7OS2
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BU of 7os2 by Molmil
Cryo-EM structure of Brr2 in complex with Jab1/MPN and C9ORF78
Descriptor: Pre-mRNA-processing-splicing factor 8, Telomere length and silencing protein 1 homolog, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
Deposit date:2021-06-07
Release date:2022-02-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
7OS1
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BU of 7os1 by Molmil
Cryo-EM structure of Brr2 in complex with Fbp21
Descriptor: U5 small nuclear ribonucleoprotein 200 kDa helicase, WW domain-binding protein 4
Authors:Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
Deposit date:2021-06-07
Release date:2022-02-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
7OIT
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BU of 7oit by Molmil
Crystal structure of AP2 Mu2 in complex with FCHO2 WxxPhi motif (P3221 crystal form)
Descriptor: AP-2 complex subunit mu, F-BAR domain only protein 2, GLYCEROL
Authors:Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J.
Deposit date:2021-05-12
Release date:2022-06-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch.
Sci Adv, 8, 2022
7OIQ
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BU of 7oiq by Molmil
Crystal structure of AP2 Mu2 in complex with FCHO2 WxxPhi motif (C2 crystal form)
Descriptor: AP-2 complex subunit mu, F-BAR domain only protein 2
Authors:Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J.
Deposit date:2021-05-12
Release date:2022-06-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch.
Sci Adv, 8, 2022
7OOR
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BU of 7oor by Molmil
NaK C-DI mutant with Na+ and K+
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Minniberger, S, Plested, A.J.R.
Deposit date:2021-05-28
Release date:2022-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OPH
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BU of 7oph by Molmil
NaK S-DI mutant with Na+ and K+
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Minniberger, S, Plested, A.J.R.
Deposit date:2021-05-31
Release date:2022-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023

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PDB entries from 2024-09-18

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