7ZBA
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![BU of 7zba by Molmil](/molmil-images/mine/7zba) | HaloTag with Me-TRaQ-G ligand | Descriptor: | 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | Deposit date: | 2022-03-23 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | A locally activatable sensor for robust quantification of organellar glutathione. Nat.Chem., 15, 2023
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7ZBB
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![BU of 7zbb by Molmil](/molmil-images/mine/7zbb) | HaloTag with TRaQ-G-ctrl ligand | Descriptor: | (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium, CHLORIDE ION, GLYCEROL, ... | Authors: | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | Deposit date: | 2022-03-23 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A locally activatable sensor for robust quantification of organellar glutathione. Nat.Chem., 15, 2023
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7ZAK
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![BU of 7zak by Molmil](/molmil-images/mine/7zak) | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes. Immunity, 56, 2023
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7Z58
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![BU of 7z58 by Molmil](/molmil-images/mine/7z58) | Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin | Descriptor: | 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-08 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z3T
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![BU of 7z3t by Molmil](/molmil-images/mine/7z3t) | Crystal structure of apo human Cathepsin L | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7ZFR
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![BU of 7zfr by Molmil](/molmil-images/mine/7zfr) | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ... | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | Deposit date: | 2022-04-01 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes. Immunity, 56, 2023
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8A7N
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![BU of 8a7n by Molmil](/molmil-images/mine/8a7n) | Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125) | Descriptor: | N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide, PHOSPHATE ION, T-box transcription factor T | Authors: | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | Deposit date: | 2022-06-21 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125) To Be Published
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1VKA
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![BU of 1vka by Molmil](/molmil-images/mine/1vka) | Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment | Descriptor: | Microtubule-associated protein RP/EB family member 1 | Authors: | Liu, Z.-J, Tempel, W, Schubot, F.D, Shah, A, Dailey, T.A, Mayer, M.R, Rose, J.P, Dailey, H.A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-05-10 | Release date: | 2004-07-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment TO BE PUBLISHED
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7JIZ
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![BU of 7jiz by Molmil](/molmil-images/mine/7jiz) | |
5MJL
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![BU of 5mjl by Molmil](/molmil-images/mine/5mjl) | Single-shot pink beam serial crystallography: Proteinase K | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V. | Deposit date: | 2016-12-01 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.21013784 Å) | Cite: | Pink-beam serial crystallography. Nat Commun, 8, 2017
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5MJG
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![BU of 5mjg by Molmil](/molmil-images/mine/5mjg) | Single-shot pink beam serial crystallography: Thaumatin | Descriptor: | S,R MESO-TARTARIC ACID, SODIUM ION, Thaumatin-1 | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V. | Deposit date: | 2016-12-01 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Single-shot pink beam serial crystallography: Thaumatin To Be Published
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8FSD
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![BU of 8fsd by Molmil](/molmil-images/mine/8fsd) | P130R mutant of soybean SHMT8 in complex with PLP-glycine and formylTHF | Descriptor: | 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | Authors: | Beamer, L.J, Korasick, D.A. | Deposit date: | 2023-01-09 | Release date: | 2023-10-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural and functional analysis of two SHMT8 variants associated with soybean cyst nematode resistance. Febs J., 291, 2024
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8G8F
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![BU of 8g8f by Molmil](/molmil-images/mine/8g8f) | Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-17 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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8G9B
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![BU of 8g9b by Molmil](/molmil-images/mine/8g9b) | Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-21 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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8OVR
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8OWF
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![BU of 8owf by Molmil](/molmil-images/mine/8owf) | Clostridium perfringens chitinase CP4_3455 with chitosan | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Chitodextrinase, ... | Authors: | Bloch, Y, Savvides, S.N. | Deposit date: | 2023-04-27 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Clostridium perfringens chitinase CP4_3455 with chitosan To Be Published
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8OXU
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![BU of 8oxu by Molmil](/molmil-images/mine/8oxu) | Crystal Structure of the Hsp90-LA1011 Complex | Descriptor: | ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate | Authors: | Roe, S.M, Prodromou, C. | Deposit date: | 2023-05-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease. Biomolecules, 13, 2023
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8PFF
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![BU of 8pff by Molmil](/molmil-images/mine/8pff) | Galectin-3C in complex with a triazolesulfone derivative | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, MAGNESIUM ION, ... | Authors: | Kumar, R, Mahanti, M, Nilsson, U.J, Logan, D.T. | Deposit date: | 2023-06-15 | Release date: | 2023-11-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds. J.Med.Chem., 66, 2023
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8OV8
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![BU of 8ov8 by Molmil](/molmil-images/mine/8ov8) | Crystal structure of Ene-reductase 1 from black poplar mushroom in complex to NADP | Descriptor: | Ene-reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | Authors: | Korf, L, Essen, L.-O, Karrer, D, Ruehl, M. | Deposit date: | 2023-04-25 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Shifting the substrate scope of an ene/yne-reductase by loop engineering To Be Published
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7RVA
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![BU of 7rva by Molmil](/molmil-images/mine/7rva) | Updated Crystal Structure of Replication Initiator Protein REPE54. | Descriptor: | DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ... | Authors: | Ward, A.R, Snow, C.D. | Deposit date: | 2021-08-18 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA Crystals, 12, 2022
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7SDP
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![BU of 7sdp by Molmil](/molmil-images/mine/7sdp) | |
7SGC
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![BU of 7sgc by Molmil](/molmil-images/mine/7sgc) | |
7S86
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![BU of 7s86 by Molmil](/molmil-images/mine/7s86) | |
7S7S
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![BU of 7s7s by Molmil](/molmil-images/mine/7s7s) | |
7BBM
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![BU of 7bbm by Molmil](/molmil-images/mine/7bbm) | Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX | Descriptor: | 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260 | Authors: | Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G. | Deposit date: | 2020-12-18 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Chemogenetic engineering of nitrobindin toward an artificial epoxygenase Catalysis Science And Technology, 2021
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