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7S0F
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BU of 7s0f by Molmil
Isoproterenol bound beta1 adrenergic receptor in complex with heterotrimeric Gi protein
Descriptor: Beta1-Adrenergic Receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Paknejad, N, Alegre, K.O, Su, M, Lou, J.S, Huang, J, Jordan, K.D, Eng, E.T, Meyerson, J.R, Hite, R.K, Huang, X.Y.
Deposit date:2021-08-30
Release date:2021-11-17
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural basis and mechanism of activation of two different families of G proteins by the same GPCR.
Nat.Struct.Mol.Biol., 28, 2021
1IHP
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BU of 1ihp by Molmil
STRUCTURE OF PHOSPHOMONOESTERASE
Descriptor: PHYTASE, SULFATE ION
Authors:Kostrewa, D.
Deposit date:1997-02-04
Release date:1998-03-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of phytase from Aspergillus ficuum at 2.5 A resolution.
Nat.Struct.Biol., 4, 1997
5EDL
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BU of 5edl by Molmil
Crystal structure of an S-component of ECF transporter
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Putative HMP/thiamine permease protein YkoE, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Josts, I, Tidow, H.
Deposit date:2015-10-21
Release date:2016-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of a Group I Energy Coupling Factor Vitamin Transporter S Component in Complex with Its Cognate Substrate.
Cell Chem Biol, 23, 2016
5EMU
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BU of 5emu by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Escherichia coli (K58E-Y96W mutant) after acetaldehyde treatment and heating
Descriptor: 1-BUTANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Deoxyribose-phosphate aldolase
Authors:Weiergraeber, O.H, Dick, M, Pietruszka, J.
Deposit date:2015-11-06
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies.
Chem Sci, 7, 2016
3O24
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BU of 3o24 by Molmil
Crystal structure of the brevianamide F prenyltransferase FtmPT1 from Aspergillus fumigatus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Brevianamide F prenyltransferase, CHLORIDE ION, ...
Authors:Jost, M, Zocher, G.E, Stehle, T.
Deposit date:2010-07-22
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-function analysis of an enzymatic prenyl transfer reaction identifies a reaction chamber with modifiable specificity.
J.Am.Chem.Soc., 132, 2010
5C6M
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BU of 5c6m by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Shewanella halifaxensis
Descriptor: CHLORIDE ION, Deoxyribose-phosphate aldolase, SODIUM ION
Authors:Weiergraeber, O.H, Dick, M, Bramski, J, Pietruszka, J.
Deposit date:2015-06-23
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Trading off stability against activity in extremophilic aldolases.
Sci Rep, 6, 2016
5C5Y
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BU of 5c5y by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Colwellia psychrerythraea (hexagonal form)
Descriptor: Deoxyribose-phosphate aldolase, GLYCEROL, UNKNOWN LIGAND
Authors:Weiergraeber, O.H, Dick, M, Pietruszka, J.
Deposit date:2015-06-22
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trading off stability against activity in extremophilic aldolases.
Sci Rep, 6, 2016
7QDA
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BU of 7qda by Molmil
Crystal structure of CalpL
Descriptor: CalpL, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Schneberger, N, Hagelueken, G.
Deposit date:2021-11-26
Release date:2022-11-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antiviral signalling by a cyclic nucleotide activated CRISPR protease.
Nature, 614, 2023
5EL1
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BU of 5el1 by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Escherichia coli (K58E-Y96W mutant) after acetaldehyde treatment
Descriptor: 1-BUTANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Deoxyribose-phosphate aldolase
Authors:Weiergraeber, O.H, Dick, M, Pietruszka, J.
Deposit date:2015-11-04
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies.
Chem Sci, 7, 2016
6C83
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BU of 6c83 by Molmil
Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP
Descriptor: Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D.
Deposit date:2018-01-24
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Allosteric modulation of a human protein kinase with monobodies.
Proc.Natl.Acad.Sci.USA, 116, 2019
4YNU
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BU of 4ynu by Molmil
Crystal structure of Aspergillus flavus FADGDH in complex with D-glucono-1,5-lactone
Descriptor: D-glucono-1,5-lactone, FLAVIN-ADENINE DINUCLEOTIDE, Glucose oxidase, ...
Authors:Yoshida, H, Sakai, G, Kojima, K, Kamitori, S, Sode, K.
Deposit date:2015-03-11
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural analysis of fungus-derived FAD glucose dehydrogenase
Sci Rep, 5, 2015
4YNT
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BU of 4ynt by Molmil
Crystal structure of Aspergillus flavus FAD glucose dehydrogenase
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Glucose oxidase, putative
Authors:Yoshida, H, Sakai, G, Kojima, K, Kamitori, S, Sode, K.
Deposit date:2015-03-11
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural analysis of fungus-derived FAD glucose dehydrogenase
Sci Rep, 5, 2015
5DL1
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BU of 5dl1 by Molmil
ClpP from Staphylococcus aureus in complex with AV145
Descriptor: 1-(propan-2-yl)-N-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, ATP-dependent Clp protease proteolytic subunit
Authors:Vielberg, M.-T, Groll, M.
Deposit date:2015-09-04
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Reversible Inhibitors Arrest ClpP in a Defined Conformational State that Can Be Revoked by ClpX Association.
Angew.Chem.Int.Ed.Engl., 54, 2015
7KE0
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BU of 7ke0 by Molmil
HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2020-10-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:A highly potent and safe pyrrolopyridine-based allosteric HIV-1 integrase inhibitor targeting host LEDGF/p75-integrase interaction site.
Plos Pathog., 17, 2021
6RWF
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BU of 6rwf by Molmil
The dissociation mechanism of processive cellulases
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Glucanase
Authors:Stahlberg, J, Knott, B.C.
Deposit date:2019-06-04
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The dissociation mechanism of processive cellulases.
Proc.Natl.Acad.Sci.USA, 116, 2019
8IS0
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BU of 8is0 by Molmil
Carbon Sulfoxide lyase - Y106F
Descriptor: 2-AMINO-ACRYLIC ACID, PYRIDOXAL-5'-PHOSPHATE, Probable hercynylcysteine sulfoxide lyase
Authors:Gong, W.M, Wei, L.L, Liu, L.
Deposit date:2023-03-20
Release date:2024-03-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE.
J.Biol.Chem., 300, 2024
8IRK
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BU of 8irk by Molmil
Carbon Sulfoxide lyase
Descriptor: PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID, Probable hercynylcysteine sulfoxide lyase
Authors:Gong, W.M, Wei, L.L, Liu, L.
Deposit date:2023-03-18
Release date:2024-03-06
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE.
J.Biol.Chem., 300, 2024
8IRY
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BU of 8iry by Molmil
Carbon Sulfoxide lyase
Descriptor: PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID, Probable hercynylcysteine sulfoxide lyase
Authors:Gong, W.M, Wei, L.L, Liu, L.
Deposit date:2023-03-20
Release date:2024-03-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE.
J.Biol.Chem., 300, 2024
8IRZ
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BU of 8irz by Molmil
Carbon Sulfoxide lyase
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Probable hercynylcysteine sulfoxide lyase
Authors:Gong, W.M, Wei, L.L, Liu, L.
Deposit date:2023-03-20
Release date:2024-03-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE.
J.Biol.Chem., 300, 2024
1QJE
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BU of 1qje by Molmil
Isopenicillin N synthase from Aspergillus nidulans (IP1 - Fe complex)
Descriptor: FE (II) ION, ISOPENICILLIN N, ISOPENICILLIN N SYNTHASE, ...
Authors:Burzlaff, N.I, Clifton, I.J, Rutledge, P.J, Roach, P.L, Adlington, R.M, Baldwin, J.E.
Deposit date:1999-06-23
Release date:2000-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
3PF1
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BU of 3pf1 by Molmil
E. coli FadL Asp348Ala mutant
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein
Authors:Vandenberg, B, Lepore, B.W, Hearn, E.M, Indic, M, Patel, D.
Deposit date:2010-10-27
Release date:2011-05-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:From the Cover: Ligand-gated diffusion across the bacterial outer membrane.
Proc.Natl.Acad.Sci.USA, 108, 2011
1QJF
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BU of 1qjf by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (Monocyclic Sulfoxide - Fe COMPLEX)
Descriptor: 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ...
Authors:Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E.
Deposit date:1999-06-23
Release date:2000-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
8IO5
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BU of 8io5 by Molmil
Herg1a-herg1b closed state 2
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Zhang, M.F.
Deposit date:2023-03-10
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of Herg1a-herg1b open state
To Be Published
8IOB
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BU of 8iob by Molmil
Herg1a-herg1b closed state 1
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Zhang, M.F.
Deposit date:2023-03-10
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of Herg1a-herg1b closed state 1
To Be Published
5A7B
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BU of 5a7b by Molmil
Structure of the p53 cancer Y220C bound to the stabilizing small molecule PhiKan5211
Descriptor: 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C.
Deposit date:2015-07-03
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere.
Acs Chem.Biol., 10, 2015

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