5I6A
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![BU of 5i6a by Molmil](/molmil-images/mine/5i6a) | bicyclo[3.3.2]decapeptide | Descriptor: | ALA-PHE-GLY-LYD-VAL-PHE-PRO-GLN-ALA-GLY, DIMETHYL SULFOXIDE | Authors: | Bartoloni, M, Waltersperger, S, Bumann, M, Stocker, A, Darbre, T, Reymond, J.-L. | Deposit date: | 2016-02-16 | Release date: | 2016-03-09 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (0.813 Å) | Cite: | Stereoselective synthesis and structure determination of a bicyclo[3.3.2]decapeptide Arkivoc, 2014, 2014
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3GVM
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8BEB
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![BU of 8beb by Molmil](/molmil-images/mine/8beb) | Ternary complex between VCB, BRD4-BD1 and PROTAC 49 | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]butylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | Deposit date: | 2022-10-21 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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8BDX
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![BU of 8bdx by Molmil](/molmil-images/mine/8bdx) | Ternary complex between VCB, BRD4-BD2 and PROTAC 48 | Descriptor: | (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | Deposit date: | 2022-10-20 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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8BRF
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8BS0
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![BU of 8bs0 by Molmil](/molmil-images/mine/8bs0) | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at 80 MPa helium gas pressure in a sapphire capillary | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | Deposit date: | 2022-11-24 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins To Be Published
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8BRZ
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![BU of 8brz by Molmil](/molmil-images/mine/8brz) | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at 52 MPa helium gas pressure in a sapphire capillary | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | Deposit date: | 2022-11-24 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins To Be Published
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8BRY
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![BU of 8bry by Molmil](/molmil-images/mine/8bry) | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at atmospheric pressure | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | Deposit date: | 2022-11-24 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins To Be Published
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2R15
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5TIQ
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![BU of 5tiq by Molmil](/molmil-images/mine/5tiq) | The Structure of the Major Capsid protein of PBCV-1 | Descriptor: | 6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose-(1-2)-beta-L-rhamnopyranose-(1-4)-beta-D-xylopyranose-(1-4)-[alpha-D-mannopyranose-(1-3)-alpha-D-rhamnopyranose-(1-3)][alpha-D-galactopyranose-(1-2)]alpha-L-fucopyranose-(1-3)-[beta-D-xylopyranose-(1-4)]beta-D-glucopyranose, MERCURY (II) ION, Major capsid protein, ... | Authors: | Klose, T, De Castro, C, Speciale, I, Molinaro, A, Van Etten, J.L, Rossmann, M.G. | Deposit date: | 2016-10-03 | Release date: | 2017-10-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.537 Å) | Cite: | Structure of the chlorovirus PBCV-1 major capsid glycoprotein determined by combining crystallographic and carbohydrate molecular modeling approaches. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5K8J
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![BU of 5k8j by Molmil](/molmil-images/mine/5k8j) | Structure of Caulobacter crescentus VapBC1 (apo form) | Descriptor: | GLYCEROL, Ribonuclease VapC, VapB family protein | Authors: | Bendtsen, K.L, Xu, K, Luckmann, M, Brodersen, D.E. | Deposit date: | 2016-05-30 | Release date: | 2016-12-28 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Toxin inhibition in C. crescentus VapBC1 is mediated by a flexible pseudo-palindromic protein motif and modulated by DNA binding. Nucleic Acids Res., 45, 2017
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5HX2
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![BU of 5hx2 by Molmil](/molmil-images/mine/5hx2) | In vitro assembled star-shaped hubless T4 baseplate | Descriptor: | Baseplate wedge protein gp10, Baseplate wedge protein gp53, Baseplate wedge protein gp6, ... | Authors: | Yap, M.L, Klose, T, Fokine, A, Rossmann, M.G. | Deposit date: | 2016-01-29 | Release date: | 2016-03-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Role of bacteriophage T4 baseplate in regulating assembly and infection. Proc.Natl.Acad.Sci.USA, 113, 2016
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8ATD
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![BU of 8atd by Molmil](/molmil-images/mine/8atd) | Wild type hexamer oxalyl-CoA synthetase (OCS) | Descriptor: | Oxalate--CoA ligase | Authors: | Lill, P, Burgi, J, Raunser, S, Wilmanns, M, Gatsogiannis, C. | Deposit date: | 2022-08-23 | Release date: | 2023-02-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Asymmetric horseshoe-like assembly of peroxisomal yeast oxalyl-CoA synthetase. Biol.Chem., 404, 2023
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8AFG
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8ATI
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3ZNJ
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![BU of 3znj by Molmil](/molmil-images/mine/3znj) | Crystal structure of unliganded ClcF from R.opacus 1CP in crystal form 1. | Descriptor: | 1,2-ETHANEDIOL, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION | Authors: | Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N. | Deposit date: | 2013-02-14 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp. Mol.Microbiol., 88, 2013
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8BC6
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3ZR4
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![BU of 3zr4 by Molmil](/molmil-images/mine/3zr4) | STRUCTURAL EVIDENCE FOR AMMONIA TUNNELING ACROSS THE (BETA-ALPHA)8 BARREL OF THE IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE BIENZYME COMPLEX | Descriptor: | GLUTAMINE, GLYCEROL, IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HISF, ... | Authors: | Vega, M.C, Kuper, J, Haeger, M.C, Mohrlueder, J, Marquardt, S, Sterner, R, Wilmanns, M. | Deposit date: | 2011-06-13 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Catalysis Uncoupling in a Glutamine Amidotransferase Bienzyme by Unblocking the Glutaminase Active Site. Chem.Biol., 19, 2012
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8RDS
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![BU of 8rds by Molmil](/molmil-images/mine/8rds) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8i | Descriptor: | (5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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8RDT
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![BU of 8rdt by Molmil](/molmil-images/mine/8rdt) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8j | Descriptor: | (5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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8RDQ
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![BU of 8rdq by Molmil](/molmil-images/mine/8rdq) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8b | Descriptor: | (5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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6T7E
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![BU of 6t7e by Molmil](/molmil-images/mine/6t7e) | PII-like protein CutA from Nostoc sp. PCC7120 in complex with MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Periplasmic divalent cation tolerance protein | Authors: | Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D. | Deposit date: | 2019-10-21 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role. Febs J., 288, 2021
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8AFV
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![BU of 8afv by Molmil](/molmil-images/mine/8afv) | DaArgC3 - Engineered Formyl Phosphate Reductase with 3 substitutions (S178V, G182V, L233I) | Descriptor: | N-acetyl-gamma-glutamyl-phosphate reductase, SODIUM ION | Authors: | Pfister, P, Nattermann, M, Zarzycki, J, Erb, T.J. | Deposit date: | 2022-07-18 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | N-acetyl-gamma-glutamyl-phosphate reductase of Denitrovibrio acetiphilus To Be Published
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8AFU
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5IRE
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![BU of 5ire by Molmil](/molmil-images/mine/5ire) | The cryo-EM structure of Zika Virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein | Authors: | Sirohi, D, Chen, Z, Sun, L, Klose, T, Pierson, T, Rossmann, M, Kuhn, R. | Deposit date: | 2016-03-13 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The 3.8 angstrom resolution cryo-EM structure of Zika virus. Science, 352, 2016
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