1AOC
 
 | | JAPANESE HORSESHOE CRAB COAGULOGEN | | Descriptor: | COAGULOGEN, SULFATE ION | | Authors: | Bergner, A, Oganessyan, V, Muta, T, Iwanaga, S, Typke, D, Huber, R, Bode, W. | | Deposit date: | 1996-11-28 | | Release date: | 1997-04-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a coagulogen, the clotting protein from horseshoe crab: a structural homologue of nerve growth factor.
EMBO J., 15, 1996
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1BWD
 | | INOSAMINE-PHOSPHATE AMIDINOTRANSFERASE STRB1 FROM STREPTOMYCES GRISEUS | | Descriptor: | PROTEIN (INOSAMINE-PHOSPHATE AMIDINOTRANSFERASE) | | Authors: | Fritsche, E, Bergner, A, Humm, A, Piepersberg, W, Huber, R. | | Deposit date: | 1998-09-23 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of L-arginine:inosamine-phosphate amidinotransferase StrB1 from Streptomyces griseus: an enzyme involved in streptomycin biosynthesis.
Biochemistry, 37, 1998
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1A0L
 | | HUMAN BETA-TRYPTASE: A RING-LIKE TETRAMER WITH ACTIVE SITES FACING A CENTRAL PORE | | Descriptor: | (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, BETA-TRYPTASE | | Authors: | Pereira, P.J.B, Bergner, A, Macedo-Ribeiro, S, Huber, R, Matschiner, G, Fritz, H, Sommerhoff, C.P, Bode, W. | | Deposit date: | 1997-12-03 | | Release date: | 1999-03-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Human beta-tryptase is a ring-like tetramer with active sites facing a central pore.
Nature, 392, 1998
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1BUI
 | | Structure of the ternary microplasmin-staphylokinase-microplasmin complex: a proteinase-cofactor-substrate complex in action | | Descriptor: | L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, Plasminogen, Staphylokinase | | Authors: | Parry, M.A.A, Fernandez-Catalan, C, Bergner, A, Huber, R, Hopfner, K, Schlott, B, Guehrs, K, Bode, W. | | Deposit date: | 1998-09-04 | | Release date: | 1999-09-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The ternary microplasmin-staphylokinase-microplasmin complex is a proteinase-cofactor-substrate complex in action.
Nat.Struct.Biol., 5, 1998
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8OVN
 | | X-ray structure of the SF-iGluSnFR-S72A | | Descriptor: | CITRIC ACID, Putative periplasmic binding transport protein,Green fluorescent protein | | Authors: | Tarnawski, M, Hellweg, L, Bergner, A, Hiblot, J, Leippe, P, Johnsson, K. | | Deposit date: | 2023-04-26 | | Release date: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray structure of the SF-iGluSnFR-S72A
To Be Published
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8OVP
 | | X-ray structure of the iAspSnFR in complex with L-aspartate | | Descriptor: | ACETATE ION, ASPARTIC ACID, MAGNESIUM ION, ... | | Authors: | Tarnawski, M, Hellweg, L, Bergner, A, Hiblot, J, Leippe, P, Johnsson, K. | | Deposit date: | 2023-04-26 | | Release date: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray structure of the SF-iAspSnFR in complex with L-aspartate
To Be Published
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8OVO
 | | X-ray structure of the SF-iGluSnFR-S72A in complex with L-aspartate | | Descriptor: | ASPARTIC ACID, Putative periplasmic binding transport protein,Green fluorescent protein | | Authors: | Tarnawski, M, Hellweg, L, Bergner, A, Hiblot, J, Leippe, P, Johnsson, K. | | Deposit date: | 2023-04-26 | | Release date: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray structure of the SF-iGluSnFR-S72A in complex with L-aspartate
To Be Published
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6QUU
 | | Crystal Structure of KRAS-G12D in complex with GMP-PCP | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | | Deposit date: | 2019-02-28 | | Release date: | 2019-07-31 | | Last modified: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (1.477 Å) | | Cite: | KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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6QUV
 | | Crystal Structure of KRAS-G12D in complex with GMP-PCP and compound 15R | | Descriptor: | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | | Deposit date: | 2019-02-28 | | Release date: | 2019-07-31 | | Last modified: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (1.475 Å) | | Cite: | KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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6QUX
 | | Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 15 | | Descriptor: | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | | Deposit date: | 2019-02-28 | | Release date: | 2019-07-31 | | Last modified: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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6QUW
 | | Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 9b | | Descriptor: | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | | Deposit date: | 2019-02-28 | | Release date: | 2019-07-31 | | Last modified: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (1.242 Å) | | Cite: | KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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7PCD
 | | HER2 IN COMPLEX WITH A COVALENT INHIBITOR | | Descriptor: | 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one, Receptor tyrosine-protein kinase erbB-2 | | Authors: | Bader, G. | | Deposit date: | 2021-08-03 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling.
Nat Cancer, 3, 2022
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8B6S
 | | X-ray structure of the haloalkane dehalogenase HaloTag7 fusion to the green fluorescent protein GFP (ChemoG1) labeled with a chloroalkane tetramethylrhodamine fluorophore substrate | | Descriptor: | CHLORIDE ION, GLYCEROL, Green fluorescent protein,Haloalkane dehalogenase, ... | | Authors: | Tarnawski, M, Hellweg, L, Hiblot, J. | | Deposit date: | 2022-09-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
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8B6T
 | | X-ray structure of the interface optimized haloalkane dehalogenase HaloTag7 fusion to the green fluorescent protein GFP (ChemoG5-TMR) labeled with a chloroalkane tetramethylrhodamine fluorophore substrate | | Descriptor: | CHLORIDE ION, Green fluorescent protein,Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | | Authors: | Tarnawski, M, Hellweg, L, Hiblot, J. | | Deposit date: | 2022-09-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
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8B6R
 | | X-ray structure of the haloalkane dehalogenase HaloTag7 labeled with a chloroalkane Cyanine3 fluorophore substrate | | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | | Authors: | Tarnawski, M, Hellweg, L, Hiblot, J. | | Deposit date: | 2022-09-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
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1UEA
 | | MMP-3/TIMP-1 COMPLEX | | Descriptor: | CALCIUM ION, MATRIX METALLOPROTEINASE-3, TISSUE INHIBITOR OF METALLOPROTEINASE-1, ... | | Authors: | Bode, W, Maskos, K, Gomis-Rueth, F.-X, Nagase, H. | | Deposit date: | 1997-06-06 | | Release date: | 1998-10-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mechanism of inhibition of the human matrix metalloproteinase stromelysin-1 by TIMP-1.
Nature, 389, 1997
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6S9B
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide, Epidermal growth factor receptor | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6S9C
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 5 | | Descriptor: | DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6S9D
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 6 | | Descriptor: | 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one, DIMETHYL SULFOXIDE, Epidermal growth factor receptor | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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8P0F
 | | Crystal structure of the VCB complex with compound 1. | | Descriptor: | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide, CHLORIDE ION, Elongin-B, ... | | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | | Deposit date: | 2023-05-10 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders
Chemrxiv, 2023
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6ZIO
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6ZIZ
 | | CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18 | | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-26 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.785 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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6ZLI
 | | CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP | | Descriptor: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-30 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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6ZL5
 | | CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP | | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-30 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.645 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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6ZIR
 | | CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP AND COMPOUND 18 | | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-26 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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