3KWC
 
 | | Oxidized, active structure of the beta-carboxysomal gamma-Carbonic Anhydrase, CcmM | | Descriptor: | CHLORIDE ION, Carbon dioxide concentrating mechanism protein, ISOPROPYL ALCOHOL, ... | | Authors: | Kimber, M.S, Castel, S.E, Pena, K.L. | | Deposit date: | 2009-12-01 | | Release date: | 2010-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6RAV
 | | Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | | Descriptor: | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | Deposit date: | 2019-04-08 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3L35
 | | PIE12 D-peptide against HIV entry | | Descriptor: | GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12 | | Authors: | Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S. | | Deposit date: | 2009-12-16 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
J.Virol., 84, 2010
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3L1U
 | | Crystal structure of Calcium-bound GmhB from E. coli. | | Descriptor: | CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION | | Authors: | Sugiman-Marangos, S.N, Junop, M.S. | | Deposit date: | 2009-12-14 | | Release date: | 2010-01-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and kinetic characterization of the LPS biosynthetic enzyme D-alpha,beta-D-heptose-1,7-bisphosphate phosphatase (GmhB) from Escherichia coli.
Biochemistry, 49, 2010
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3N1Z
 | | X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201S Mutant | | Descriptor: | FE (III) ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | McCormick, M.S, Sazinsky, M.H, Lippard, S.J. | | Deposit date: | 2010-05-17 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Active Site Threonine Facilitates Proton Transfer during Dioxygen Activation at the Diiron Center of Toluene/o-Xylene Monooxygenase Hydroxylase.
J.Am.Chem.Soc., 132, 2010
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3N20
 | | X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201V Mutant | | Descriptor: | FE (III) ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | McCormick, M.S, Sazinsky, M.H, Lippard, S.J. | | Deposit date: | 2010-05-17 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Active Site Threonine Facilitates Proton Transfer during Dioxygen Activation at the Diiron Center of Toluene/o-Xylene Monooxygenase Hydroxylase.
J.Am.Chem.Soc., 132, 2010
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7KGU
 | | Structure of 2Q1-Fab, an antibody selective for IDH2R140Q-HLA-B*07:02 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Miller, M.S, Aytenfisu, T.Y, Wright, K.M, Gabelli, S.B. | | Deposit date: | 2020-10-18 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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7UK4
 | | KS-AT di-domain of mycobacterial Pks13 with endogenous KS ligand bound | | Descriptor: | Polyketide synthase PKS13, UNKNOWN LIGAND | | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | | Deposit date: | 2022-03-31 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (1.94 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
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6RRA
 | | X-RAY STRUCTURE OF THE FERREDOXIN-NADP REDUCTASE FROM BRUCELLA OVIS IN COMPLEX WITH NADP | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Martinez-Julvez, M, Taleb, V, Medina, M. | | Deposit date: | 2019-05-17 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Towards the competent conformation for catalysis in the ferredoxin-NADP+reductase from the Brucella ovis pathogen.
Biochim Biophys Acta Bioenerg, 1860, 2019
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3N1Y
 | | X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201G Mutant | | Descriptor: | FE (III) ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | McCormick, M.S, Sazinsky, M.H, Lippard, S.J. | | Deposit date: | 2010-05-17 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Active Site Threonine Facilitates Proton Transfer during Dioxygen Activation at the Diiron Center of Toluene/o-Xylene Monooxygenase Hydroxylase.
J.Am.Chem.Soc., 132, 2010
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6RZU
 | | Structure of s-Mgm1 decorating the outer surface of tubulated lipid membranes in the GTPgammaS bound state | | Descriptor: | Putative mitochondrial dynamin protein | | Authors: | Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O. | | Deposit date: | 2019-06-13 | | Release date: | 2019-07-24 | | Last modified: | 2020-11-18 | | Method: | ELECTRON MICROSCOPY (14.7 Å) | | Cite: | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
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1ALV
 | | CALCIUM BOUND DOMAIN VI OF PORCINE CALPAIN | | Descriptor: | CALCIUM ION, CALPAIN | | Authors: | Narayana, S.V.L, Lin, G, Chattopadhyay, D, Maki, M. | | Deposit date: | 1997-06-03 | | Release date: | 1998-06-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of calcium bound domain VI of calpain at 1.9 A resolution and its role in enzyme assembly, regulation, and inhibitor binding.
Nat.Struct.Biol., 4, 1997
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5ZJ6
 | | Crystal structure of HCK kinase complexed with a pyrrolo-pyrimidine inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Descriptor: | 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Tyrosine-protein kinase HCK | | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | | Deposit date: | 2018-03-19 | | Release date: | 2018-06-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Phosphorylated and non-phosphorylated HCK kinase domains produced by cell-free protein expression.
Protein Expr. Purif., 150, 2018
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6KCJ
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6K69
 | | Application of anti-helix antibodies in protein structure determination (9213-3LRH) | | Descriptor: | 3LRH intrabody, Engineered T4 lysozyme | | Authors: | Lee, J.O, Jin, M.S, Kim, J.W, Kim, S, Lee, H, Cho, G.Y. | | Deposit date: | 2019-06-01 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Application of antihelix antibodies in protein structure determination.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5Z3E
 | | Glycosidase E335A | | Descriptor: | CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein | | Authors: | Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A. | | Deposit date: | 2018-01-05 | | Release date: | 2019-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
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6K68
 | | Application of anti-helix antibodies in protein structure determination (8420-3MNZ) | | Descriptor: | 3MNZ Variable heavy chain, 3MNZ Variable light chain, Protein A | | Authors: | Lee, J.O, Jin, M.S, Kim, J.W, Kim, S, Lee, H, Cho, G.Y. | | Deposit date: | 2019-06-01 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Application of antihelix antibodies in protein structure determination.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3M58
 | | SET7/9 Y245A in complex with TAF10-K189me1 peptide and AdoHcy | | Descriptor: | Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | Authors: | Del Rizzo, P.A, Couture, J.-F, Roiko, M.S, Strunk, B.S, Brunzelle, J.S, Dirk, L.M, Houtz, R.L, Trievel, R.C. | | Deposit date: | 2010-03-12 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | SET7/9 catalytic mutants reveal the role of active site water molecules in lysine multiple methylation.
J.Biol.Chem., 285, 2010
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3M5A
 | | SET7/9 Y245A in complex with TAF10-K189me3 peptide and AdoHcy | | Descriptor: | COBALT (II) ION, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Del Rizzo, P.A, Couture, J.-F, Roiko, M.S, Strunk, B.S, Brunzelle, J.S, Dirk, L.M, Houtz, R.L, Trievel, R.C. | | Deposit date: | 2010-03-12 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | SET7/9 catalytic mutants reveal the role of active site water molecules in lysine multiple methylation.
J.Biol.Chem., 285, 2010
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6UJV
 | | Model of the HIV-1 gp41 membrane-proximal external region, transmembrane domain and cytoplasmic tail (LLP2) | | Descriptor: | Envelope glycoprotein GP41 | | Authors: | Piai, A, Fu, Q, Cai, Y, Ghantous, F, Xiao, T, Shaik, M.M, Peng, H, Rits-Volloch, S, Liu, Z, Chen, W, Seaman, M.S, Chen, B, Chou, J.J. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis of transmembrane coupling of the HIV-1 envelope glycoprotein.
Nat Commun, 11, 2020
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8P5G
 | | Kinase domain of wild type human ULK1 in complex with compound CCT241533 | | Descriptor: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | Deposit date: | 2023-05-24 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.019 Å) | | Cite: | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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8P5I
 | | Kinase domain of mutant human ULK1 in complex with compound XMD-17-51 | | Descriptor: | 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | Deposit date: | 2023-05-24 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.829 Å) | | Cite: | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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8P5L
 | | Kinase domain of mutant human ULK1 in complex with compound MRT67307 | | Descriptor: | MAGNESIUM ION, N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase ULK1 | | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | Deposit date: | 2023-05-24 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.836 Å) | | Cite: | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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8P5J
 | | Kinase domain of mutant human ULK1 in complex with compound WZ4003 | | Descriptor: | MAGNESIUM ION, SODIUM ION, Serine/threonine-protein kinase ULK1, ... | | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | Deposit date: | 2023-05-24 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.164 Å) | | Cite: | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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8P5H
 | | Kinase domain of mutant human ULK1 in complex with compound CCT241533 | | Descriptor: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | Deposit date: | 2023-05-24 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.941 Å) | | Cite: | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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