7RTE
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![BU of 7rte by Molmil](/molmil-images/mine/7rte) | X-ray structure of wild type RBPJ-L3MBTL3-DNA complex | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), ... | Authors: | Hall, D.P, Kovall, R.A, Yuan, Z. | Deposit date: | 2021-08-13 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The structure, binding and function of a Notch transcription complex involving RBPJ and the epigenetic reader protein L3MBTL3. Nucleic Acids Res., 50, 2022
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7NM0
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![BU of 7nm0 by Molmil](/molmil-images/mine/7nm0) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1-(2,6-dihydroxyphenyl)ethan-1-one. | Descriptor: | 1,2-ETHANEDIOL, 1-[2,6-bis(oxidanyl)phenyl]ethanone, Acetylglutamate kinase, ... | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-23 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.281 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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5ZZB
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![BU of 5zzb by Molmil](/molmil-images/mine/5zzb) | LokiProfilin2/Rabbit Actin Complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Robinson, R.C, Akil, C. | Deposit date: | 2018-05-31 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Genomes of Asgard archaea encode profilins that regulate actin. Nature, 562, 2018
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7NOT
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![BU of 7not by Molmil](/molmil-images/mine/7not) | Crystal structure of Mycobacterium tuberculosis ArgC in complex with nicotinamide adenine dinucleotide phosphate (NADP+) and 5-Methoxy-3-indoleacetic acid | Descriptor: | (5-methoxy-1H-indol-3-yl)acetic acid, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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8BIA
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![BU of 8bia by Molmil](/molmil-images/mine/8bia) | Crystal structure of Scribble PDZ1 with PTHR | Descriptor: | PHOSPHATE ION, Parathyroid hormone/parathyroid hormone-related peptide receptor, Protein scribble homolog | Authors: | Stewart, B.Z, Kvansakul, M. | Deposit date: | 2022-11-02 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide To Be Published
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7NNI
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![BU of 7nni by Molmil](/molmil-images/mine/7nni) | |
6OVN
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![BU of 6ovn by Molmil](/molmil-images/mine/6ovn) | Crystal structure of the unliganded Clone 2 TCR | Descriptor: | Alpha chain Clone 2 TCR, Beta chain Clone 2 TCR, CHLORIDE ION, ... | Authors: | Shahine, A, Rossjohn, J. | Deposit date: | 2019-05-08 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A TCR beta-Chain Motif Biases toward Recognition of Human CD1 Proteins. J Immunol., 203, 2019
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7NLP
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![BU of 7nlp by Molmil](/molmil-images/mine/7nlp) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with L-canavanine | Descriptor: | Acetylglutamate kinase, L-CANAVANINE, SULFATE ION | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-22 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.213 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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4Z81
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7NOR
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![BU of 7nor by Molmil](/molmil-images/mine/7nor) | Crystal structure of Mycobacterium tuberculosis ArgF in complex with 2-fluoro-4-hydroxybenzonitrile. | Descriptor: | 2-fluoro-4-hydroxybenzonitrile, Ornithine carbamoyltransferase, PHOSPHATE ION | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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6U12
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![BU of 6u12 by Molmil](/molmil-images/mine/6u12) | VHH R303 C33A/C102A in complex withthe LRR domain of InlB | Descriptor: | InlB, VHH R303 C33A/C102A mutant | Authors: | Mendoza, M.N, Jian, M, Toride King, M, Brooks, C.L. | Deposit date: | 2019-08-15 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Role of a noncanonical disulfide bond in the stability, affinity, and flexibility of a VHH specific for the Listeria virulence factor InlB. Protein Sci., 29, 2020
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7RWY
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![BU of 7rwy by Molmil](/molmil-images/mine/7rwy) | |
8BIQ
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![BU of 8biq by Molmil](/molmil-images/mine/8biq) | Crystal structure of acyl-COA synthetase from Metallosphaera sedula in complex with acetyl-AMP | Descriptor: | 4-hydroxybutyrate--CoA ligase 1, ADENOSINE MONOPHOSPHATE, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate | Authors: | Capra, N, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2022-11-02 | Release date: | 2023-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering Front Catal, 4, 2024
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7NLX
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![BU of 7nlx by Molmil](/molmil-images/mine/7nlx) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 7-(trifluoromethyl)quinolin-4-ol. | Descriptor: | 7-(trifluoromethyl)quinolin-4-ol, Acetylglutamate kinase, SULFATE ION | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-22 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.234 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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6L37
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![BU of 6l37 by Molmil](/molmil-images/mine/6l37) | X-ray structure of human PPARalpha ligand binding domain-GW9662-ciprofibrate co-crystals obtained by delipidation and co-crystallization | Descriptor: | 2-chloro-5-nitro-N-phenylbenzamide, 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2019-10-09 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6U16
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![BU of 6u16 by Molmil](/molmil-images/mine/6u16) | Human thymine DNA glycosylase N140A mutant bound to DNA with 5-carboxyl-dC substrate | Descriptor: | 1,2-ETHANEDIOL, DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2019-08-15 | Release date: | 2019-11-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase. J.Am.Chem.Soc., 141, 2019
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7RWE
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![BU of 7rwe by Molmil](/molmil-images/mine/7rwe) | Crystal structure of CDK2 liganded with compound GPHR787 | Descriptor: | 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-08-19 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
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6U44
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8BPV
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![BU of 8bpv by Molmil](/molmil-images/mine/8bpv) | Crystal structure of JAK2 JH1 in complex with pacritinib | Descriptor: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, Tyrosine-protein kinase JAK2 | Authors: | Miao, Y, Haikarainen, T. | Deposit date: | 2022-11-18 | Release date: | 2023-11-29 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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6L1B
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![BU of 6l1b by Molmil](/molmil-images/mine/6l1b) | Crystal Structure of P450BM3 with N-(3-cyclopentylpropanoyl)-L-pipecolyl-L-phenylalanine | Descriptor: | (2S)-2-[[(2S)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | Authors: | Shoji, O, Yonemura, K. | Deposit date: | 2019-09-28 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3 Acs Catalysis, 10, 2020
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7S6M
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7NLW
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![BU of 7nlw by Molmil](/molmil-images/mine/7nlw) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-(5-methoxy-1H-indol-3-yl)acetonitrile | Descriptor: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile, Acetylglutamate kinase, SULFATE ION | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-22 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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6U1D
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![BU of 6u1d by Molmil](/molmil-images/mine/6u1d) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Rb+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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6U4T
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![BU of 6u4t by Molmil](/molmil-images/mine/6u4t) | Carbonic anhydrase 9 in complex with SB4197 | Descriptor: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | Deposit date: | 2019-08-26 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.356 Å) | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
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7NNV
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![BU of 7nnv by Molmil](/molmil-images/mine/7nnv) | Crystal structure of Mycobacterium tuberculosis ArgF in complex with carbamoyl phosphate. | Descriptor: | 1,2-ETHANEDIOL, Ornithine carbamoyltransferase, PHOSPHATE ION, ... | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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