7R1I
 
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | | Deposit date: | 2022-02-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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2QG5
 | | Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 | | Descriptor: | Calcium/calmodulin-dependent protein kinase | | Authors: | Lunin, V.V, Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Artz, J, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-28 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cryptosporidium parvum calcium dependent protein kinase cgd7_1840
To be Published
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4IFJ
 | | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes | | Descriptor: | Kelch-like ECH-associated protein 1 | | Authors: | Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. | | Deposit date: | 2012-12-14 | | Release date: | 2014-08-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
To be Published
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6V3Z
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5GWR
 | | 4-hydroxyisoleucine dehydrogenase complexed with NADH | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyisolecuine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Shi, X, Miyakawa, T, Nakamura, A, Tanokura, M. | | Deposit date: | 2016-09-13 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Engineering a short-chain dehydrogenase/reductase for the stereoselective production of (2S,3R,4S)-4-hydroxyisoleucine with three asymmetric centers
Sci Rep, 7, 2017
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6BCC
 | | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide | | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | | Deposit date: | 2017-10-20 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
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1IPA
 | | CRYSTAL STRUCTURE OF RNA 2'-O RIBOSE METHYLTRANSFERASE | | Descriptor: | RNA 2'-O-RIBOSE METHYLTRANSFERASE | | Authors: | Nureki, O, Shirouzu, M, Hashimoto, K, Ishitani, R, Terada, T, Tamakoshi, M, Oshima, T, Chijimatsu, M, Takio, K, Vassylyev, D.G, Shibata, T, Inoue, Y, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-05-02 | | Release date: | 2002-07-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An enzyme with a deep trefoil knot for the active-site architecture.
Acta Crystallogr.,Sect.D, 58, 2002
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8BB7
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7ADZ
 | | Cryo-EM structure of an extracellular contractile injection system in marine bacterium Algoriphagus machipongonensis, the cap portion in extended state. | | Descriptor: | Phage tail protein, Putative phage tail sheath protein FI, cap adaptor protein (Algo2), ... | | Authors: | Xu, J, Ericson, C, Feldmueller, M, Lien, Y.W, Pilhofer, M. | | Deposit date: | 2020-09-17 | | Release date: | 2022-02-16 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Identification and structure of an extracellular contractile injection system from the marine bacterium Algoriphagus machipongonensis.
Nat Microbiol, 7, 2022
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4IEB
 | | Crystal Structure of a Gly128Met mutant of the toxoplasma CDPK, TGME49_101440 | | Descriptor: | CALCIUM ION, Calmodulin-domain protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Wernimont, A.K, Artz, J.D, El Bakkouri, M, Schapira, M, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-13 | | Release date: | 2013-12-25 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of a Gly128Met mutant of the toxoplasma CDPK, TGME49_101440
To be Published
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7AEB
 | | Cryo-EM structure of an extracellular contractile injection system in marine bacterium Algoriphagus machipongonensis, the baseplate complex in extended state applied 6-fold symmetry. | | Descriptor: | Baseplate_J domain-containing protein, LysM domain-containing protein, Phage tail protein, ... | | Authors: | Xu, J, Ericson, C, Feldmueller, M, Lien, Y.W, Pilhofer, M. | | Deposit date: | 2020-09-17 | | Release date: | 2022-02-16 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Identification and structure of an extracellular contractile injection system from the marine bacterium Algoriphagus machipongonensis.
Nat Microbiol, 7, 2022
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7AE0
 | | Cryo-EM structure of an extracellular contractile injection system in marine bacterium Algoriphagus machipongonensis, the sheath-tube module in extended state. | | Descriptor: | Phage tail protein, Putative phage tail sheath protein FI | | Authors: | Xu, J, Ericson, C, Feldmueller, M, Lien, Y.W, Pilhofer, M. | | Deposit date: | 2020-09-17 | | Release date: | 2022-02-16 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Identification and structure of an extracellular contractile injection system from the marine bacterium Algoriphagus machipongonensis.
Nat Microbiol, 7, 2022
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6LJH
 | | Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua in complex with NAD+ | | Descriptor: | Alcohol dehydrogenase 1, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Feng, X, Fan, S, Li, M, Zou, S, Lv, G, Wu, G, Jin, Y, Yang, Z. | | Deposit date: | 2019-12-16 | | Release date: | 2020-12-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua in complex with NAD+
To Be Published
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4IF8
 | | Structure Of Vaspin | | Descriptor: | SULFATE ION, Serpin A12 | | Authors: | Kuettner, E.B, Strater, N, Heiker, J.T, Kloting, N, Kovacs, P, Schultz, S, Kern, M, Stumvoll, M, Bluher, M, Beck-Sickinger, A.G. | | Deposit date: | 2012-12-14 | | Release date: | 2013-02-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Vaspin inhibits kallikrein 7 by serpin mechanism
Cell.Mol.Life Sci., 70, 2013
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5UPU
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide | | Authors: | Kim, Y, Makowska-Grzyska, M, Maltseva, N, Mulligan, R, Gu, M, Sacchettini, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-04 | | Release date: | 2017-02-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.905 Å) | | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6
To Be Published
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8B3K
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7AEF
 | | Cryo-EM structure of an extracellular contractile injection system in marine bacterium Algoriphagus machipongonensis, the baseplate complex in extended state applied 3-fold symmetry. | | Descriptor: | Baseplate_J domain-containing protein, LysM domain-containing protein, Phage tail protein, ... | | Authors: | Xu, J, Ericson, C, Feldmueller, M, Lien, Y.W, Pilhofer, M. | | Deposit date: | 2020-09-17 | | Release date: | 2022-02-23 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Identification and structure of an extracellular contractile injection system from the marine bacterium Algoriphagus machipongonensis.
Nat Microbiol, 7, 2022
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8B2W
 | | Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A, Ampicillin, 500 MS | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-09-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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4OS3
 | | Three-dimensional structure of the C65A-W112F double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form | | Descriptor: | Prostaglandin-H2 D-isomerase | | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | | Deposit date: | 2014-02-12 | | Release date: | 2014-08-06 | | Last modified: | 2014-12-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
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8B3M
 | | Millisecond cryo-trapping by the spitrobot crystal plunger, CTXM-14 Avibactam complex, SSX, 1 sec | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-09-16 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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6BC9
 | | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide | | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | | Deposit date: | 2017-10-20 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
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5UI7
 | | Solution NMR Structure of Lasso Peptide Klebsidin | | Descriptor: | Klebsidin | | Authors: | Bushin, L.B, Metelev, M, Severinov, K, Seyedsayamdost, M.R. | | Deposit date: | 2017-01-13 | | Release date: | 2017-02-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Acinetodin and Klebsidin, RNA Polymerase Targeting Lasso Peptides Produced by Human Isolates of Acinetobacter gyllenbergii and Klebsiella pneumoniae.
ACS Chem. Biol., 12, 2017
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7K8F
 | | Beta-lactamase mixed with Ceftriaxone, 10ms | | Descriptor: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2020-09-26 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.60003138 Å) | | Cite: | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
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7K8H
 | | Beta-lactamase mixed with Ceftriaxone, 50ms | | Descriptor: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2020-09-27 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.60006261 Å) | | Cite: | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography
Iucrj, 8, 2021
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7R3U
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Snee, M, Katariya, M, Leys, D, Levy, C. | | Deposit date: | 2022-02-07 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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