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1AOC
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BU of 1aoc by Molmil
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
1BWD
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BU of 1bwd by Molmil
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
1BUI
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BU of 1bui by Molmil
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
1A0L
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BU of 1a0l by Molmil
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
8OVN
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BU of 8ovn by Molmil
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
8OVO
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BU of 8ovo by Molmil
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
8OVP
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BU of 8ovp by Molmil
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
6QUU
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BU of 6quu by Molmil
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:2024-05-15
Method:X-RAY DIFFRACTION (1.477 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
6QUW
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BU of 6quw by Molmil
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:2024-05-15
Method:X-RAY DIFFRACTION (1.242 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
6QUV
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BU of 6quv by Molmil
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:2024-05-15
Method:X-RAY DIFFRACTION (1.475 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
6QUX
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BU of 6qux by Molmil
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:2024-05-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
7PCD
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BU of 7pcd by Molmil
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
6S9D
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BU of 6s9d by Molmil
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:2024-05-15
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
1QRZ
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BU of 1qrz by Molmil
CATALYTIC DOMAIN OF PLASMINOGEN
Descriptor: PLASMINOGEN
Authors:Peisach, E, Wang, J, de los Santos, T, Reich, E, Ringe, D.
Deposit date:1999-06-16
Release date:1999-10-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the proenzyme domain of plasminogen.
Biochemistry, 38, 1999
1UEA
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BU of 1uea by Molmil
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
8B6T
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BU of 8b6t by Molmil
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
8B6S
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BU of 8b6s by Molmil
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
8B6R
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BU of 8b6r by Molmil
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
6S9B
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BU of 6s9b by Molmil
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:2024-05-15
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
6S9C
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BU of 6s9c by Molmil
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:2024-05-15
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
1M9I
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BU of 1m9i by Molmil
Crystal Structure Of Phosphorylation-Mimicking Mutant T356D Of Annexin VI
Descriptor: Annexin VI, CALCIUM ION
Authors:Freye-Minks, C, Kretsinger, R.H, Creutz, C.E.
Deposit date:2002-07-29
Release date:2002-08-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and Dynamic Changes in Human Annexin VI Induced by a Phosphorylation-Mimicking Mutation, T356D
Biochemistry, 42, 2003
6ZIZ
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BU of 6ziz by Molmil
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
6ZLI
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BU of 6zli by Molmil
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
6ZIO
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BU of 6zio by Molmil
CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP
Descriptor: GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
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 (1.55 Å)
Cite:Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
6ZL5
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BU of 6zl5 by Molmil
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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