7A11
 
 | | LppS with covalent adduct derived from 1E | | Descriptor: | ACETATE ION, L,D-transpeptidase 2, propane-1-thiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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7A0Z
 | | LppS with covalent adduct derived from 1b | | Descriptor: | L,D-transpeptidase 2, TRIS(HYDROXYETHYL)AMINOMETHANE, benzenethiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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8U5L
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5JZB
 | | Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide | | Descriptor: | 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION | | Authors: | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | | Deposit date: | 2016-05-16 | | Release date: | 2017-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
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8BI0
 | | ABCG2 turnover-2 state with tariquidar bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | | Authors: | Yu, Q, Kowal, J, Tajkhorshid, E, Locher, K.P. | | Deposit date: | 2022-11-01 | | Release date: | 2023-01-11 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Differential dynamics and direct interaction of bound ligands with lipids in multidrug transporter ABCG2.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8OIO
 | | Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 12, ... | | Authors: | Dalietou, E.V, Chen, Z, Ramdass, A.E, Manning, C, Richardson, W, Aitmakhanova, K, Platt, M, Pike, A.C.W, Fedorov, O, Brennan, P, Bullock, A.N. | | Deposit date: | 2023-03-23 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide
To Be Published
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7USY
 | | Structure of C. elegans TMC-1 complex with ARRD-6 | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jeong, H, Clark, S, Gouaux, E. | | Deposit date: | 2022-04-26 | | Release date: | 2022-10-19 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Structures of the TMC-1 complex illuminate mechanosensory transduction.
Nature, 610, 2022
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8P0X
 | | Structure of the human Commander complex Retriever Subcomplex | | Descriptor: | Coiled-coil domain-containing protein 22, Coiled-coil domain-containing protein 93, VPS35 endosomal protein-sorting factor-like, ... | | Authors: | Kumpula, E.P, Laulumaa, S, Huiskonen, J.T. | | Deposit date: | 2023-05-11 | | Release date: | 2024-03-20 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Structure and interactions of the endogenous human Commander complex.
Nat.Struct.Mol.Biol., 31, 2024
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7UAW
 | | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-2' gcADPR | | Descriptor: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, ABC transporter ATPase | | Authors: | Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2022-03-14 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Viruses inhibit TIR gcADPR signalling to overcome bacterial defence.
Nature, 611, 2022
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8P0W
 | | Structure of the human Commander complex COMMD ring | | Descriptor: | COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ... | | Authors: | Kumpula, E.P, Laulumaa, S, Huiskonen, J.T. | | Deposit date: | 2023-05-11 | | Release date: | 2024-03-20 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure and interactions of the endogenous human Commander complex.
Nat.Struct.Mol.Biol., 31, 2024
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6PQ9
 | | Crystal Structure of TLA-1 S70G extended spectrum Beta-lactamase | | Descriptor: | ACETATE ION, ASPARTIC ACID, Beta-lactamase, ... | | Authors: | Rudino-Pinera, E, Cifuentes-Castro, V.H, Rodriguez-Alamazan, C. | | Deposit date: | 2019-07-08 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.191 Å) | | Cite: | The crystal structure of ESBL TLA-1 in complex with clavulanic acid reveals a second acylation site.
Biochem.Biophys.Res.Commun., 522, 2020
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8TZQ
 | | CryoEM structure of D2 dopamine receptor in complex with GoA KE Mutant, scFv16, and dopamine | | Descriptor: | D(2) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Krumm, B.E, Kapolka, N.J, Fay, J.F, Roth, B.L. | | Deposit date: | 2023-08-27 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A neurodevelopmental disorder mutation locks G proteins in the transitory pre-activated state.
Nat Commun, 15, 2024
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8U02
 | | CryoEM structure of D2 dopamine receptor in complex with GoA KE mutant and dopamine | | Descriptor: | D(2) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Krumm, B.E, Kapolka, N.J, Fay, J.F, Roth, B.L. | | Deposit date: | 2023-08-28 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | A neurodevelopmental disorder mutation locks G proteins in the transitory pre-activated state.
Nat Commun, 15, 2024
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8BSM
 | | Human GLS in complex with compound 18 | | Descriptor: | 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ... | | Authors: | Debreczeni, J.E. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.782 Å) | | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
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6PR4
 | | D262N/S128A S. typhimurium siroheme synthase | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase | | Authors: | Pennington, J.M, Stroupe, M.E. | | Deposit date: | 2019-07-10 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
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8BSK
 | | Human GLS in complex with compound 3 | | Descriptor: | Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ... | | Authors: | Debreczeni, J.E. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
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6OZ1
 | | Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Fedorchuk, T, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | One-Pot Biocatalytic Transformation of Adipic Acid to 6-Aminocaproic Acid and 1,6-Hexamethylenediamine Using Carboxylic Acid Reductases and Transaminases.
J.Am.Chem.Soc., 142, 2020
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6MDV
 | | Crystal structure of Streptococcus pyogenes endo-beta-N-acetylglucosaminidase (EndoS2) with high-mannose glycan | | Descriptor: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Klontz, E.H, Trastoy, B, Orwenyo, J, Wang, L.X, Guerin, M.E, Sundberg, E.J. | | Deposit date: | 2018-09-05 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular Basis of Broad SpectrumN-Glycan Specificity and Processing of Therapeutic IgG Monoclonal Antibodies by Endoglycosidase S2.
ACS Cent Sci, 5, 2019
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7A21
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type I, ... | | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2020-08-14 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2153
To Be Published
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7USX
 | | Structure of Contracted C. elegans TMC-1 complex | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jeong, H, Clark, S, Gouaux, E. | | Deposit date: | 2022-04-26 | | Release date: | 2022-10-19 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structures of the TMC-1 complex illuminate mechanosensory transduction.
Nature, 610, 2022
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8KHO
 | | Crystal structure of human methionine aminopeptidase 12 (MAP12) in complex with two Cobalt ions and Methionine | | Descriptor: | COBALT (II) ION, METHIONINE, Methionine aminopeptidase 1D, ... | | Authors: | Lee, Y, Lee, E, Hahn, H, Kim, H, Heo, Y, Jang, D.M, Kim, H.J, Kim, H.S. | | Deposit date: | 2023-08-22 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural insights into N-terminal methionine cleavage by the human mitochondrial methionine aminopeptidase, MetAP1D.
Sci Rep, 13, 2023
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6ZRX
 | | Crystal structure of 6-dimethylallyltryptophan synthase from Micromonospora olivasterospora in complex with DMASPP and Trp | | Descriptor: | DI(HYDROXYETHYL)ETHER, DMATS type aromatic prenyltransferase, S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate, ... | | Authors: | Ostertag, E, Stehle, T, Zocher, G. | | Deposit date: | 2020-07-15 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Reprogramming Substrate and Catalytic Promiscuity of Tryptophan Prenyltransferases.
J.Mol.Biol., 433, 2020
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7USW
 | | Structure of Expanded C. elegans TMC-1 complex | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jeong, H, Clark, S, Gouaux, E. | | Deposit date: | 2022-04-26 | | Release date: | 2022-10-19 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of the TMC-1 complex illuminate mechanosensory transduction.
Nature, 610, 2022
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8KHN
 | | Crystal structure of human methionine aminopeptidase 12 (MAP12) in complex with two cobalt ions | | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 1D, mitochondrial, ... | | Authors: | Lee, Y, Lee, E, Hahn, H, Kim, H, Heo, Y, Jang, D.M, Kim, H.J, Kim, H.S. | | Deposit date: | 2023-08-22 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structural insights into N-terminal methionine cleavage by the human mitochondrial methionine aminopeptidase, MetAP1D.
Sci Rep, 13, 2023
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6ZWB
 | | Z-SBTub3 photoswitch bound to tubulin-DARPin D1 complex | | Descriptor: | 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wranik, M, Weinert, T, Olieric, N, Gao, L, Kraus, Y.C.M, Bingham, R, Ntouliou, E, Ahlfeld, J, Thorn-Seshold, O, Steinmetz, M.O, Standfuss, J. | | Deposit date: | 2020-07-28 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.747 Å) | | Cite: | A Robust, GFP-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control over the Microtubule Cytoskeleton.
Cell Chem Biol, 28, 2021
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