6V5E
 
 | | Crystal structure of CTX-M-14 P167S/D240G beta-lactamase | | Descriptor: | Beta-lactamase | | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2019-12-04 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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5AGV
 | | The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | | Descriptor: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ... | | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | | Deposit date: | 2015-02-03 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
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1AL5
 | | A-TRACT RNA DODECAMER, NMR, 12 STRUCTURES | | Descriptor: | RNA (5'-R(*CP*GP*CP*AP*AP*AP*UP*UP*UP*GP*CP*G)-3') | | Authors: | Conte, M.R, Conn, G.L, Brown, T, Lane, A.N. | | Deposit date: | 1997-06-11 | | Release date: | 1997-12-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Conformational properties and thermodynamics of the RNA duplex r(CGCAAAUUUGCG)2: comparison with the DNA analogue d(CGCAAATTTGCG)2.
Nucleic Acids Res., 25, 1997
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192D
 | | RECOMBINATION-LIKE STRUCTURE OF D(CCGCGG) | | Descriptor: | DNA (5'-D(*CP*CP*GP*CP*GP*G)-3'), SODIUM ION | | Authors: | Malinina, L, Urpi, L, Salas, X, Huynh-Dinh, T, Subirana, J.A. | | Deposit date: | 1994-09-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Recombination-like structure of d(CCGCGG).
J.Mol.Biol., 243, 1994
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5YVO
 | | Human Glutathione Transferase Omega1 covalently bound to ML175 inhibitor | | Descriptor: | ACETATE ION, Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, ... | | Authors: | Saisawang, C, Ketterman, A, Wongsantichon, J. | | Deposit date: | 2017-11-27 | | Release date: | 2018-11-28 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Glutathione transferase Omega 1-1 (GSTO1-1) modulates Akt and MEK1/2 signaling in human neuroblastoma cell SH-SY5Y.
Proteins, 87, 2019
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6SFU
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6GZH
 | | Crystal Structure of Human CDK9/cyclinT1 with A86 | | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9, GLYCEROL, ... | | Authors: | Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J. | | Deposit date: | 2018-07-04 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Cell, 175, 2018
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7VVL
 | | PTH-bound human PTH1R in complex with Gs (class2) | | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O. | | Deposit date: | 2021-11-06 | | Release date: | 2022-08-03 | | Last modified: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
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6GN5
 | | CRYSTAL STRUCTURE OF HUMAN GRAMD1C START DOMAIN | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GRAM domain-containing protein 1C | | Authors: | Friese, A, Vetter, I.R. | | Deposit date: | 2018-05-30 | | Release date: | 2019-06-19 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | The cholesterol transfer protein GRAMD1A regulates autophagosome biogenesis.
Nat.Chem.Biol., 15, 2019
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4UFD
 | | Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-16 | | Release date: | 2016-01-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
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8C8Q
 | | Cytochrome c oxidase from Schizosaccharomyces pombe | | Descriptor: | CALCIUM ION, COPPER (II) ION, Cytochrome c oxidase polypeptide 5, ... | | Authors: | Moe, A, Adelroth, P, Brzezinski, P, Nasvik Ojemyr, L. | | Deposit date: | 2023-01-20 | | Release date: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Cryo-EM structure and function of S. pombe complex IV with bound respiratory supercomplex factor.
Commun Chem, 6, 2023
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6SGF
 | | Molecular insight into a new low affinity xylan binding module CBM86, from the xylanolytic gut symbiont Roseburia intestinalis. | | Descriptor: | Beta-xylanase, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Ejby, M, Abou Hachem, M, Leth, M.L, Guskov, A, Slotboom, D. | | Deposit date: | 2019-08-04 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.756 Å) | | Cite: | Molecular insight into a new low-affinity xylan binding module from the xylanolytic gut symbiont Roseburia intestinalis.
Febs J., 287, 2020
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4UFG
 | | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-17 | | Release date: | 2016-01-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
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6G2U
 | | Crystal structure of the human glutamate dehydrogenase 2 (hGDH2) | | Descriptor: | CHLORIDE ION, Glutamate dehydrogenase 2, mitochondrial, ... | | Authors: | Fadouloglou, V.F, Dimovasili, C, Providaki, M, Kotsifaki, D, Sarrou, I, Plaitakis, A, Zaganas, I, Kokkinidis, M. | | Deposit date: | 2018-03-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.934287 Å) | | Cite: | Crystal structure of glutamate dehydrogenase 2, a positively selected novel human enzyme involved in brain biology and cancer pathophysiology.
J.Neurochem., 2021
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5KXJ
 | | Crystal Structure of L-Aspartate Oxidase from Salmonella typhimurium in the Complex with Substrate L-Aspartate | | Descriptor: | 1,2-ETHANEDIOL, ASPARTIC ACID, GLYCEROL, ... | | Authors: | Kim, Y, Osipiuk, J, Mulligan, R, Makowska-Grzyska, M, Maltseva, N, Shatsman, S, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-07-20 | | Release date: | 2016-08-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal Structure of L-Aspartate Oxidase from Salmonella typhimurium in the Complex with Substrate L-Aspartate
To Be Published
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6V8F
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6SGY
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5AGE
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINONE LIGAND | | Descriptor: | 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2015-01-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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6G3T
 | | X-ray structure of NSD3-PWWP1 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase NSD3 | | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2018-03-26 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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6GO5
 | | TdT chimera (Loop1 of pol mu) - Ternary complex with 1-nt gapped DNA substrate | | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA (5'-D(*AP*CP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*GP*GP*CP*AP*AP*AP*CP*A)-3'), ... | | Authors: | Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M. | | Deposit date: | 2018-06-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction.
J.Biol.Chem., 294, 2019
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6C2Z
 | | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PLP-Aminoacrylate Intermediate | | Descriptor: | 1,2-ETHANEDIOL, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CALCIUM ION, ... | | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2018-01-09 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time.
Biochemistry, 57, 2018
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5KYT
 | | Structure of Photinus pyralis Luciferase red light emitting variant | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, Luciferin 4-monooxygenase | | Authors: | Gulick, A.M. | | Deposit date: | 2016-07-22 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Cloning of the Orange Light-Producing Luciferase from Photinus scintillans-A New Proposal on how Bioluminescence Color is Determined.
Photochem. Photobiol., 93, 2017
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8CIK
 | | Altai wapiti (Cervus elaphus sibiricus) chymosin at 2.2 A resolution | | Descriptor: | Chymosin, GLYCEROL | | Authors: | Diusenova, S.E, Shevtsov, M.B, Borshchevskiy, V.I, Belenkaya, S.V, Kolybalov, D.S, Arkhipov, S.G, Volosnikova, E.A, Elchaninov, V.V, Shcherbakov, D.N. | | Deposit date: | 2023-02-09 | | Release date: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Altai wapiti (Cervus elaphus sibiricus) chymosin at 2.2 A resolution
To Be Published
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6GBY
 | | Copper nitrite reductase from Achromobacter cycloclastes: non-polymorph separated dataset 1 | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | | Authors: | Ebrahim, A, Appleby, M.V, Axford, D, Beale, J, Moreno-Chicano, T, Sherrell, D.A, Strange, R.W, Owen, R.L, Hough, M.A. | | Deposit date: | 2018-04-16 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 75, 2019
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7VVN
 | | PTH-bound human PTH1R in complex with Gs (class4) | | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O. | | Deposit date: | 2021-11-06 | | Release date: | 2022-08-03 | | Last modified: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
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