6PK6
 
 | | Human PRPF4B bound to benzothiophene inhibitor 329 | | Descriptor: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-28 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | to be published
To Be Published
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4IC7
 | | Crystal structure of the ERK5 kinase domain in complex with an MKK5 binding fragment | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase 7, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Gogl, G, Remenyi, A. | | Deposit date: | 2012-12-10 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural mechanism for the specific assembly and activation of the extracellular signal regulated kinase 5 (ERK5) module.
J.Biol.Chem., 288, 2013
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3SV2
 | | Human Thrombin In Complex With UBTHR105 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-07-12 | | Release date: | 2012-06-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3TDD
 | | Crystal structure of yeast CP in complex with Belactosin C | | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | | Authors: | Korotkov, V.S, Ludwig, A, Larionov, O.V, Lygin, A.V, Groll, M, de Meijere, A. | | Deposit date: | 2011-08-10 | | Release date: | 2011-10-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthesis and biological activity of optimized belactosin C congeners.
Org.Biomol.Chem., 9, 2011
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5G10
 | | Pseudomonas aeruginosa HDAH bound to 9,9,9 trifluoro-8,8-dihydroy-N-phenylnonanamide | | Descriptor: | 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide, HDAH, POTASSIUM ION, ... | | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | Deposit date: | 2016-03-23 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Crystal Structure of a Histone Deacetylase Homologue from Pseudomonas aeruginosa.
Biochemistry, 55, 2016
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2BV9
 | | HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A | | Descriptor: | ENDOGLUCANASE H | | Authors: | Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J. | | Deposit date: | 2005-06-23 | | Release date: | 2005-06-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A.
J.Biol.Chem., 280, 2005
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2III
 | | Crystal structure of the adenosylmethionine decarboxylase (aq_254) from aquifex aeolicus vf5 | | Descriptor: | CALCIUM ION, MAGNESIUM ION, S-adenosylmethionine decarboxylase proenzyme | | Authors: | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-09-28 | | Release date: | 2007-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the adenosylmethionine decarboxylase (aq_254) from aquifex aeolicus vf5
To be Published
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6F48
 | | Structure of quinolinate synthase with reaction intermediates X and Y | | Descriptor: | 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid, 5-hydroxy,-4,5-dihydroquinolinate, CHLORIDE ION, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
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1PEE
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6P0Q
 | | Crystal Structure of Ubiquitin-like Domain of Human WDR12 | | Descriptor: | 1,2-ETHANEDIOL, Ribosome biogenesis protein WDR12 | | Authors: | Halabelian, L, Dong, A, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-17 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal Structure of Ubiquitin-like Domain of Human WDR12
to be published
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6PJL
 | | HIV-1 Protease NL4-3 WT in Complex with LR3-95 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.993 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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2BWG
 | | Structure of human guanosine monophosphate reductase GMPR1 in complex with GMP | | Descriptor: | GMP REDUCTASE I, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION | | Authors: | Bunkoczi, G, Haroniti, A, Ng, S, von Delft, F, Gileadi, O, Oppermann, U, Arrowsmith, C, Edwards, A, Sundstrom, M. | | Deposit date: | 2005-07-13 | | Release date: | 2005-07-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Human Guanosine Monophosphate Reductase Gmpr1 in Complex with Gmp
To be Published
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2BKD
 | | Structure of the N-terminal domain of Fragile X Mental Retardation Protein | | Descriptor: | Fragile X messenger ribonucleoprotein 1 | | Authors: | Ramos, A, Hollingworth, D, Adinolfi, S, Castets, M, Kelly, G, Frenkiel, T.A, Bardoni, B, Pastore, A. | | Deposit date: | 2005-02-15 | | Release date: | 2006-01-18 | | Last modified: | 2023-02-01 | | Method: | SOLUTION NMR | | Cite: | The structure of the N-terminal domain of the fragile X mental retardation protein: a platform for protein-protein interaction.
Structure, 14, 2006
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6PK0
 | | Crystal Structure of OXA-48 with Hydrolyzed Imipenem | | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2019-06-28 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
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6PKH
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6PLD
 | | Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase Y249F variant with 6-OH-FAD - Green fraction | | Descriptor: | 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, FAD-dependent catabolic D-arginine dehydrogenase DauA, ... | | Authors: | Reis, R.A.G, Iyer, A, Agniswamy, J, Gannavaram, S, Weber, I, Gadda, G. | | Deposit date: | 2019-06-30 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor Reactivity.
Biochemistry, 60, 2021
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6F8O
 | | AKR1B1 at 3.45 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-13 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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2BK3
 | | Human Monoamine Oxidase B in complex with Farnesol | | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Binda, C, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2005-02-10 | | Release date: | 2005-02-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Demonstration of isoleucine 199 as a structural determinant for the selective inhibition of human monoamine oxidase B by specific reversible inhibitors.
J. Biol. Chem., 280, 2005
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2ISC
 | | Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with DADMe-Imm-A | | Descriptor: | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL, PHOSPHATE ION, purine nucleoside phosphorylase | | Authors: | Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L. | | Deposit date: | 2006-10-17 | | Release date: | 2007-06-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues
Biochemistry, 46, 2007
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8V3N
 | | CCP5 in complex with Glu-P-Glu transition state analog | | Descriptor: | (2S)-2-{[(S)-[(3S)-3-acetamido-4-(ethylamino)-4-oxobutyl](hydroxy)phosphoryl]methyl}pentanedioic acid, Cytosolic carboxypeptidase-like protein 5, D-MALATE, ... | | Authors: | Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | Deposit date: | 2023-11-28 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tubulin code eraser CCP5 binds branch glutamates by substrate deformation
Nature, 2024
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3AGW
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2WGR
 | | Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase | | Descriptor: | GLUTATHIONE PEROXIDASE, PYROPHOSPHATE 2- | | Authors: | Dimastrogiovanni, D, Anselmi, M, Miele, A.E, Boumis, G, Angelucci, F, Di Nola, A, Brunori, M, Bellelli, A. | | Deposit date: | 2009-04-24 | | Release date: | 2009-09-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Combining Crystallography and Molecular Dynamics: The Case of Schistosoma Mansoni Phospholipid Glutathione Peroxidase.
Proteins, 78, 2010
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5GQE
 | | Crystal structure of michaelis complex of xylanase mutant (T82A, N127S, and E128H) from Streptomyces olivaceoviridis E-86 | | Descriptor: | Beta-xylanase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ... | | Authors: | Suzuki, R, Fujimoto, Z, Kaneko, S, Kuno, A. | | Deposit date: | 2016-08-07 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Azidolysis by the Formation of Stable Ser-His Catalytic Dyad in a Glycoside Hydrolase Family 10 Xylanase Mutant
J.Appl.Glyosci., 65, 2019
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6F4L
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3T7F
 | | Atg8 transfer from Atg7 to Atg3: a distinctive E1-E2 architecture and mechanism in the autophagy pathway | | Descriptor: | Ubiquitin-like modifier-activating enzyme ATG7 | | Authors: | Taherbhoy, A.M, Tait, S.W, Kaiser, S.E, Williams, A.H, Deng, A, Nourse, A, Hammel, M, Kurinov, I, Rock, C.O, Green, D.R, Schulman, B.A. | | Deposit date: | 2011-07-30 | | Release date: | 2011-11-23 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Atg8 transfer from atg7 to atg3: a distinctive e1-e2 architecture and mechanism in the autophagy pathway.
Mol.Cell, 44, 2011
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