5OEC
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![BU of 5oec by Molmil](/molmil-images/mine/5oec) | Human Rab32 (18-201):GDP in complex with Salmonella GtgE (21-214) C45A mutant | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GtgE, MAGNESIUM ION, ... | Authors: | Wachtel, R, Braeuning, B, Mader, S.L, Ecker, F, Kaila, V.R.I, Groll, M, Itzen, A. | Deposit date: | 2017-07-07 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The protease GtgE from Salmonella exclusively targets inactive Rab GTPases. Nat Commun, 9, 2018
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5OA7
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![BU of 5oa7 by Molmil](/molmil-images/mine/5oa7) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with cyclopeptin (1b) | Descriptor: | 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ... | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | Deposit date: | 2017-06-21 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ. Nat Commun, 9, 2018
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5OA4
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![BU of 5oa4 by Molmil](/molmil-images/mine/5oa4) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with 4-methoxycyclopeptin (1) | Descriptor: | (3S)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | Deposit date: | 2017-06-20 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ. Nat Commun, 9, 2018
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5OA8
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![BU of 5oa8 by Molmil](/molmil-images/mine/5oa8) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with demethylated cyclopeptin (1d) | Descriptor: | 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ... | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | Deposit date: | 2017-06-21 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ. Nat Commun, 9, 2018
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4B9O
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![BU of 4b9o by Molmil](/molmil-images/mine/4b9o) | The PR0 Photocycle Intermediate of Photoactive Yellow Protein | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A. | Deposit date: | 2012-09-06 | Release date: | 2012-11-14 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography Proc.Natl.Acad.Sci.USA, 109, 2012
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4BBV
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![BU of 4bbv by Molmil](/molmil-images/mine/4bbv) | The PB0 Photocycle Intermediate of Photoactive Yellow Protein | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A. | Deposit date: | 2012-09-28 | Release date: | 2012-11-14 | Last modified: | 2019-01-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography. Proc.Natl.Acad.Sci.USA, 109, 2012
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4BBU
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![BU of 4bbu by Molmil](/molmil-images/mine/4bbu) | The PR2 Photocycle Intermediate of Photoactive Yellow Protein | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A. | Deposit date: | 2012-09-27 | Release date: | 2012-11-14 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography. Proc.Natl.Acad.Sci.USA, 109, 2012
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6SM4
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![BU of 6sm4 by Molmil](/molmil-images/mine/6sm4) | AntF (apo): type II PKS acyl-carrier protein | Descriptor: | Acyl carrier protein | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-21 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6SMD
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![BU of 6smd by Molmil](/molmil-images/mine/6smd) | PlMCAT:AntF (holo): type II PKS acyl-carrier protein in complex with its malonyl-transacylase | Descriptor: | Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-21 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6SM6
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![BU of 6sm6 by Molmil](/molmil-images/mine/6sm6) | AntF (holo): type II PKS acyl-carrier protein | Descriptor: | Acyl carrier protein | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-21 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6SMO
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![BU of 6smo by Molmil](/molmil-images/mine/6smo) | AntDE:AntF (apo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide | Descriptor: | 3,5,7,9,11-pentakis(oxidanylidene)dodecanal, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ... | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-22 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6SMP
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![BU of 6smp by Molmil](/molmil-images/mine/6smp) | AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide | Descriptor: | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ... | Authors: | Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. | Deposit date: | 2019-08-22 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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6TJV
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![BU of 6tjv by Molmil](/molmil-images/mine/6tjv) | Structure of the NDH-1MS complex from Thermosynechococcus elongatus | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, BETA-CAROTENE, ... | Authors: | Schuller, J.M, Saura, P, Thiemann, J, Schuller, S.K, Gamiz-Hernandez, A.P, Kurisu, G, Nowaczyk, M.M, Kaila, V.R.I. | Deposit date: | 2019-11-27 | Release date: | 2020-02-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Redox-coupled proton pumping drives carbon concentration in the photosynthetic complex I. Nat Commun, 11, 2020
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7ZRG
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![BU of 7zrg by Molmil](/molmil-images/mine/7zrg) | Cryo-EM map of the WT KdpFABC complex in the E1_ATPearly conformation, under turnover conditions | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CARDIOLIPIN, POTASSIUM ION, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Rheinberger, J, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
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8A6T
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![BU of 8a6t by Molmil](/molmil-images/mine/8a6t) | Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Thermoanaerobacter kivui in the reduced state | Descriptor: | 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER, Electron bifurcating hydrogenase subunit HydA1, Electron bifurcating hydrogenase subunit HydB, ... | Authors: | Kumar, A, Saura, P, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | Deposit date: | 2022-06-19 | Release date: | 2023-02-15 | Last modified: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC. J.Am.Chem.Soc., 145, 2023
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8A5E
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![BU of 8a5e by Molmil](/molmil-images/mine/8a5e) | Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Acetobacterium woodii in the reduced state | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Kumar, A, Saura, P, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | Deposit date: | 2022-06-14 | Release date: | 2023-02-22 | Last modified: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC. J.Am.Chem.Soc., 145, 2023
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7ZRM
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![BU of 7zrm by Molmil](/molmil-images/mine/7zrm) | Cryo-EM map of the unphosphorylated KdpFABC complex in the E1-P_ADP conformation, under turnover conditions | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
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7ZRL
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![BU of 7zrl by Molmil](/molmil-images/mine/7zrl) | Cryo-EM map of the unphosphorylated KdpFABC complex in the E2-P conformation, under turnover conditions | Descriptor: | POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, Potassium-transporting ATPase KdpC subunit, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
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7ZRE
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![BU of 7zre by Molmil](/molmil-images/mine/7zre) | Cryo-EM map of the WT KdpFABC complex in the E1-P tight conformation, under turnover conditions | Descriptor: | CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
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7ZRK
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![BU of 7zrk by Molmil](/molmil-images/mine/7zrk) | Cryo-EM map of the WT KdpFABC complex in the E1-P_ADP conformation, under turnover conditions | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARDIOLIPIN, POTASSIUM ION, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
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1I07
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![BU of 1i07 by Molmil](/molmil-images/mine/1i07) | EPS8 SH3 DOMAIN INTERTWINED DIMER | Descriptor: | EPIDERMAL GROWTH FACTOR RECEPTOR KINASE SUBSTRATE EPS8 | Authors: | Kishan, K.V.R, Newcomer, M.E. | Deposit date: | 2001-01-29 | Release date: | 2001-05-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Effect of pH and salt bridges on structural assembly: molecular structures of the monomer and intertwined dimer of the Eps8 SH3 domain. Protein Sci., 10, 2001
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1I0C
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![BU of 1i0c by Molmil](/molmil-images/mine/1i0c) | EPS8 SH3 CLOSED MONOMER | Descriptor: | EPIDERMAL GROWTH FACTOR RECEPTOR KINASE SUBSTRATE EPS8 | Authors: | Kishan, K.V.R, Newcomer, M.E. | Deposit date: | 2001-01-29 | Release date: | 2001-05-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effect of pH and salt bridges on structural assembly: molecular structures of the monomer and intertwined dimer of the Eps8 SH3 domain. Protein Sci., 10, 2001
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7OLR
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![BU of 7olr by Molmil](/molmil-images/mine/7olr) | Dioxygenase AsqJ in complex with 2 and alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, 4-Methoxydehydrocyclopeptin, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ... | Authors: | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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7OLM
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![BU of 7olm by Molmil](/molmil-images/mine/7olm) | Dioxygenase AsqJ mutant (V72I) in complex with 2b-O-O and Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one, BROMIDE ION, ... | Authors: | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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7OLO
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![BU of 7olo by Molmil](/molmil-images/mine/7olo) | Dioxygenase AsqJ mutant (V72I) in complex with 2b and glycerol | Descriptor: | (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, BROMIDE ION, CHLORIDE ION, ... | Authors: | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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