8AWY
 
 | | Millisecond cryo-trapping by the spitrobot crystal plunger, Serial measurement Xylose Isomerase with 2,3-butanediol at 50ms | | Descriptor: | MAGNESIUM ION, Meso-2,3-Butanediol, Xylose isomerase | | 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: | 2022-08-30 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8AWB
 | | Xylose Isomerase in 90% relative humidity environment | | Descriptor: | GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ... | | 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: | 2022-08-29 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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1BU6
 | | CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLYCEROL KINASE AND THE MUTANT A65T IN AN INACTIVE TETRAMER: CONFORMATIONAL CHANGES AND IMPLICATIONS FOR ALLOSTERIC REGULATION | | Descriptor: | GLYCEROL, PROTEIN (GLYCEROL KINASE), SULFATE ION | | Authors: | Feese, M.D, Faber, H.R, Bystrom, C.E, Pettigrew, D.W, Remington, S.J. | | Deposit date: | 1998-08-30 | | Release date: | 1998-09-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Glycerol kinase from Escherichia coli and an Ala65-->Thr mutant: the crystal structures reveal conformational changes with implications for allosteric regulation.
Structure, 6, 1998
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5O90
 | | Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. | | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | | Authors: | Nichols, C.E, De Nicola, G.F, Thapa, D. | | Deposit date: | 2017-06-15 | | Release date: | 2018-01-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | TAB1-Induced Autoactivation of p38 alpha Mitogen-Activated Protein Kinase Is Crucially Dependent on Threonine 185.
Mol. Cell. Biol., 38, 2018
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2EEW
 | | Guanine Riboswitch U47C mutant bound to hypoxanthine | | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ... | | Authors: | Gilbert, S.D, Love, C.E, Batey, R.T. | | Deposit date: | 2007-02-19 | | Release date: | 2007-11-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mutational analysis of the purine riboswitch aptamer domain
Biochemistry, 46, 2007
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5OCT
 | | Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GTPase KRas, ... | | Authors: | Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H. | | Deposit date: | 2017-07-03 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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3MZI
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6TVP
 | | Structure of Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM | | Descriptor: | Alpha-maltose-1-phosphate synthase, SODIUM ION | | Authors: | Syson, K, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | | Deposit date: | 2020-01-10 | | Release date: | 2020-04-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM.
Acta Crystallogr.,Sect.F, 76, 2020
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2BTP
 | | 14-3-3 Protein Theta (Human) Complexed to Peptide | | Descriptor: | 14-3-3 PROTEIN TAU, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS | | Authors: | Elkins, J.M, Johansson, A.C.E, Smee, C, Yang, X, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-05 | | Release date: | 2005-06-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
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3POF
 | | Crystal structure of MASP-1 CUB2 domain bound to Ca2+ | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Mannan-binding lectin serine protease 1, ... | | Authors: | Gingras, A.R, Moody, P.C.E, Wallis, R. | | Deposit date: | 2010-11-22 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Structural Basis of Mannan-Binding Lectin Recognition by Its Associated Serine Protease MASP-1: Implications for Complement Activation.
Structure, 19, 2011
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5N18
 | | Second Bromodomain (BD2) from Candida albicans Bdf1 bound to an imidazopyridine (compound 2) | | Descriptor: | 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol, Bromodomain-containing factor 1, GLYCEROL | | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | | Deposit date: | 2017-02-05 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
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2BPQ
 | | Anthranilate phosphoribosyltransferase (TrpD) from Mycobacterium tuberculosis (Apo structure) | | Descriptor: | ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE, BENZAMIDINE, GLYCEROL | | Authors: | Lee, C.E, Goodfellow, C, Javid-Majd, F, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-04-22 | | Release date: | 2006-01-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Crystal Structure of Trpd, a Metabolic Enzyme Essential for Lung Colonization by Mycobacterium Tuberculosis, in Complex with its Substrate Phosphoribosylpyrophosphate
J.Mol.Biol., 355, 2006
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3MY9
 | | Crystal structure of a muconate cycloisomerase from Azorhizobium caulinodans | | Descriptor: | GLYCEROL, MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Quartararo, C.E, Ramagopal, U, Bonanno, J.B, Rutter, M, Bain, K.T, Miller, S, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-05-10 | | Release date: | 2010-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a muconate cycloisomerase from Azorhizobium caulinodans
To be Published
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3MZV
 | | Crystal structure of a decaprenyl diphosphate synthase from Rhodobacter capsulatus | | Descriptor: | Decaprenyl diphosphate synthase | | Authors: | Quartararo, C.E, Patskovsky, Y, Bonanno, J.B, Rutter, M, Bain, K.T, Chang, S, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-05-13 | | Release date: | 2010-06-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5N15
 | | First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing factor 1, GLYCEROL, ... | | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | | Deposit date: | 2017-02-05 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
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8B3W
 | | Structure of metacyclic VSG (mVSG) 1954 from Trypanosoma brucei | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Variant surface glycoprotein 1954 | | Authors: | Chandra, M, Stebbins, C.E. | | Deposit date: | 2022-09-17 | | Release date: | 2023-01-25 | | Last modified: | 2023-04-19 | | Method: | X-RAY DIFFRACTION (1.681 Å) | | Cite: | Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
Plos Negl Trop Dis, 17, 2023
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8BV0
 | | Binary complex between the NB-ARC domain from the Tomato immune receptor NRC1 and the SPRY domain-containing effector SS15 from the potato cyst nematode | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NRC1, Truncated secreted SPRY domain-containing protein 15 (Fragment) | | Authors: | Contreras, M.P, Pai, H, Muniyandi, S, Toghani, A, Lawson, D.M, Tumtas, Y, Duggan, C, Yuen, E.L.H, Stevenson, C.E.M, Harant, A, Wu, C.H, Bozkurt, T.O, Kamoun, S, Derevnina, L. | | Deposit date: | 2022-12-01 | | Release date: | 2022-12-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Resurrection of plant disease resistance proteins via helper NLR bioengineering.
Sci Adv, 9, 2023
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8B3B
 | | Structure of metacyclic VSG (mVSG) 531 from Trypanosoma brucei | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein 531, alpha-D-mannopyranose, ... | | Authors: | Chandra, M, Stebbins, C.E. | | Deposit date: | 2022-09-16 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
Plos Negl Trop Dis, 17, 2023
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2CJJ
 | | Crystal Structure of the MYB domain of the RAD transcription factor from Antirrhinum majus | | Descriptor: | RADIALIS | | Authors: | Stevenson, C.E.M, Burton, N, Costa, M.M, Nath, U, Dixon, R.A, Coen, E.S, Lawson, D.M. | | Deposit date: | 2006-04-04 | | Release date: | 2006-10-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of the Myb Domain of the Rad Transcription Factor from Antirrhinum Majus.
Proteins: Struct., Funct., Bioinf., 65, 2006
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6TAE
 | | Neutron structure of ferric ascorbate peroxidase | | Descriptor: | Ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2019-10-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | | Cite: | Visualizing the protons in a metalloenzyme electron proton transfer pathway.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1A0K
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8B3E
 | | Variant Surface Glycoprotein VSG397 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein 397 | | Authors: | Zeelen, J.P, Stebbins, C.E, Dakovic, S, Foti, K. | | Deposit date: | 2022-09-16 | | Release date: | 2023-01-25 | | Last modified: | 2023-04-19 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
Plos Negl Trop Dis, 17, 2023
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6SOV
 | | Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha | | Descriptor: | (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ... | | Authors: | Nichols, C.E, De Nicola, G.F. | | Deposit date: | 2019-08-30 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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2AV5
 | | Crystal structure of Pyrococcus furiosus Pop5, an archaeal Ribonuclease P protein | | Descriptor: | Ribonuclease P protein component 2 | | Authors: | Wilson, R.C, Bohlen, C.J, Foster, M.P, Bell, C.E. | | Deposit date: | 2005-08-29 | | Release date: | 2006-01-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structure of Pfu Pop5, an archaeal RNase P protein.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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3NUL
 | | Profilin I from Arabidopsis thaliana | | Descriptor: | GLYCEROL, PROFILIN I, SULFATE ION | | Authors: | Thorn, K, Christensen, H.E.M, Shigeta, R, Huddler, D, Chua, N.-H, Shalaby, L, Lindberg, U, Schutt, C.E. | | Deposit date: | 1996-11-27 | | Release date: | 1997-12-03 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of a major allergen from plants.
Structure, 5, 1997
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