8C4R
 
 | | CdaA-adenine complex | | Descriptor: | ADENINE, CHLORIDE ION, Diadenylate cyclase | | Authors: | Neumann, P, Ficner, R. | | Deposit date: | 2023-01-04 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor.
Microlife, 4, 2023
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8C4M
 | | CdaA-Adenosine complex | | Descriptor: | ADENOSINE, CHLORIDE ION, Diadenylate cyclase | | Authors: | Neumann, P, Ficner, R. | | Deposit date: | 2023-01-04 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor.
Microlife, 4, 2023
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8C4P
 | | CdaA-compound 7 complex | | Descriptor: | CHLORIDE ION, Diadenylate cyclase, ~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide | | Authors: | Neumann, P, Ficner, R. | | Deposit date: | 2023-01-04 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor.
Microlife, 4, 2023
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1E4J
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8S47
 | | CdaA-D07 complex | | Descriptor: | CHLORIDE ION, Diadenylate cyclase, N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide | | Authors: | Neumann, P, Ficner, R. | | Deposit date: | 2024-02-21 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | CdaA-D07 complex
To Be Published
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8S4A
 | | CdaA-B04 complex | | Descriptor: | 2-[cyanomethyl(methyl)amino]-N-(6-methylpyridin-2-yl)ethanamide, CHLORIDE ION, Diadenylate cyclase | | Authors: | Neumann, P, Ficner, R. | | Deposit date: | 2024-02-21 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | CdaA-B04 complex
To Be Published
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1H9V
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1E4K
 | | CRYSTAL STRUCTURE OF SOLUBLE HUMAN IGG1 FC FRAGMENT-FC-GAMMA RECEPTOR III COMPLEX | | Descriptor: | FC FRAGMENT OF HUMAN IGG1, LOW AFFINITY IMMUNOGLOBULIN GAMMA FC RECEPTOR III, alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sondermann, P, Huber, R, Oosthuizen, V, Jacob, U. | | Deposit date: | 2000-07-07 | | Release date: | 2000-08-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The 3.2A Crystal Structure of the Human Igg1 Fc Fragment-Fc-Gamma-Riii Complex
Nature, 406, 2000
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6SBG
 | | Structure of type II terpene cyclase MstE_R337A from Scytonema in complex with geranylgeranyl dihydroxybenzoate (substrate) | | Descriptor: | GLYCEROL, MstE, geranylgeranyl dihydroxybenzoate | | Authors: | Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J. | | Deposit date: | 2019-07-19 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
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6SBB
 | | Structure of type II terpene cyclase MstE from Scytonema (apo) | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J. | | Deposit date: | 2019-07-19 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
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6SBF
 | | Structure of type II terpene cyclase MstE_Y157F from Scytonema (apo) | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, MstE | | Authors: | Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J. | | Deposit date: | 2019-07-19 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
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6SBD
 | | Structure of type II terpene cyclase MstE_D109A from Scytonema in complex with merosterolic acid A (product) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid, GLYCEROL, ... | | Authors: | Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J. | | Deposit date: | 2019-07-19 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
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6SBC
 | | Structure of type II terpene cyclase MstE from Scytonema in complex with farnesyl dihydroxybenzoate | | Descriptor: | CHLORIDE ION, MstE, SODIUM ION, ... | | Authors: | Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J. | | Deposit date: | 2019-07-19 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
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6SBE
 | | Structure of type II terpene cyclase MstE_D109N from Scytonema in complex with geranylgeranyl dihydroxybenzoate (substrate) | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MstE, ... | | Authors: | Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J. | | Deposit date: | 2019-07-19 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
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6SM1
 | | Wild type immunoglobulin light chain (WT-1) | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Immunoglobulin lambda variable 2-14, ... | | Authors: | Kazman, P, Vielberg, M.-T, Cendales, M.D.P, Hunziger, L, Weber, B, Hegenbart, U, Zacharias, M, Koehler, R, Schoenland, S, Groll, M, Buchner, J. | | Deposit date: | 2019-08-21 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Fatal amyloid formation in a patient's antibody light chain is caused by a single point mutation.
Elife, 9, 2020
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8PNO
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2WB4
 | | activated diguanylate cyclase PleD in complex with c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), BERYLLIUM TRIFLUORIDE ION, DIGUANYLATE CYCLASE, ... | | Authors: | Wassmann, P, Schirmer, T. | | Deposit date: | 2009-02-20 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Activated Pled, Identification of Dimerization and Catalysis Relevant Regulatory Mechanisms
To be Published
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6SM2
 | | Mutant immunoglobulin light chain causing amyloidosis (Pat-1) | | Descriptor: | Pat-1 | | Authors: | Kazman, P, Vielberg, M.-T, Cendales, M.D.P, Hunziger, L, Weber, B, Hegenbart, U, Zacharias, M, Koehler, R, Schoenland, S, Groll, M, Buchner, J. | | Deposit date: | 2019-08-21 | | Release date: | 2020-03-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Fatal amyloid formation in a patient's antibody light chain is caused by a single point mutation.
Elife, 9, 2020
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2V0N
 | | ACTIVATED RESPONSE REGULATOR PLED IN COMPLEX WITH C-DIGMP AND GTP- ALPHA-S | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, ... | | Authors: | Wassmann, P, Schirmer, T. | | Deposit date: | 2007-05-15 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structure of Bef3--Modified Response Regulator Pled: Implications for Diguanylate Cyclase Activation, Catalysis, and Feedback Inhibition
Structure, 15, 2007
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2V42
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2V43
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8BWG
 | | HRas (1-166) Y64 phosphorylation | | Descriptor: | GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Baumann, P, Jin, Y. | | Deposit date: | 2022-12-06 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
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8BOS
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8CNN
 | | BeF3 Phospho-HRas GSA complex | | Descriptor: | ACETATE ION, BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Baumann, P, Jin, Y. | | Deposit date: | 2023-02-23 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
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8CNJ
 | | HRas(1-166) in complex with GDP and BeF3- | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BERYLLIUM TRIFLUORIDE ION, GTPase HRas, ... | | Authors: | Baumann, P, Jin, Y. | | Deposit date: | 2023-02-23 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
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