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2XJ2	Protein kinase Pim-1 in complex with small molecule inhibitor Descriptor: (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 Authors: Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. Deposit date: 2010-07-01 Release date: 2011-02-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
2XJ0	Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen Descriptor: (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 Authors: Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. Deposit date: 2010-07-01 Release date: 2011-02-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
2XJ1	Protein kinase Pim-1 in complex with small molecule inibitor Descriptor: (2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 Authors: Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. Deposit date: 2010-07-01 Release date: 2011-02-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
2XIZ	Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen Descriptor: (E)-PYRIDIN-4-YL-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 Authors: Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. Deposit date: 2010-07-01 Release date: 2011-02-23 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
2XIX	Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen Descriptor: 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 Authors: Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. Deposit date: 2010-07-01 Release date: 2011-02-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
8PPP	Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with AMP-CPP Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Fatty-acyl-CoA synthase Authors: Tang, Q, Grogan, G. Deposit date: 2023-07-07 Release date: 2024-02-07 Method: X-RAY DIFFRACTION (2.57 Å) Cite: Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus. Acs Catalysis, 14, 2024
3MK0	Refinement of placental alkaline phosphatase complexed with nitrophenyl Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Alkaline phosphatase, ... Authors: Stec, B, Cheltsov, A, Millan, J.L. Deposit date: 2010-04-13 Release date: 2011-01-19 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Refined structures of placental alkaline phosphatase show a consistent pattern of interactions at the peripheral site. Acta Crystallogr.,Sect.F, 66, 2010
3X1K	crystal structure of Phosphoapantetheine adenylyltransferase PPAT/CoaD with AMP-PNP from Pseudomonas aerugonosa Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, GLYCEROL, ... Authors: Chatterjee, R, Datta, S. Deposit date: 2014-11-20 Release date: 2015-11-25 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.547 Å) Cite: Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa Biochim.Biophys.Acta, 1864, 2016
3ZRY	Rotor architecture in the F(1)-c(10)-ring complex of the yeast F-ATP synthase Descriptor: ATP SYNTHASE CATALYTIC SECTOR F1 EPSILON SUBUNIT, ATP SYNTHASE SUBUNIT 9, MITOCHONDRIAL, ... Authors: Giraud, M.-F, Dautant, A. Deposit date: 2011-06-21 Release date: 2012-01-18 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (6.5 Å) Cite: Rotor Architecture in the Yeast and Bovine F(1)-C-Ring Complexes of F-ATP Synthase. J.Struct.Biol., 177, 2012
6EMA	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, beta-D-ribopyranose, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Mueller, J.M, Heine, A, Klebe, G. Deposit date: 2017-10-01 Release date: 2018-10-10 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
4AXA	Structure of PKA-PKB chimera complexed with (1S)-2-amino-1-(4- chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethan-1-ol Descriptor: (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA Authors: Davies, T.G, Yap, T.A, Walton, M.I, Grimshaw, K.M, tePoele, R.H, Eve, P.D, Valenti, M.R, deHavenBrandon, A.K, Martins, V, Zetterlund, A, Heaton, S.P, Heinzmann, K, Jones, P.S, Feltell, R.E, Reule, M, Woodhead, S.J, Lyons, J.F, Raynaud, F.I, Eccles, S.A, Workman, P, Thompson, N.T, Garrett, M.D. Deposit date: 2012-06-12 Release date: 2012-07-25 Last modified: 2013-02-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: At13148 is a Novel, Oral Multi-Agc Kinase Inhibitor with Potent Pharmacodynamic and Antitumor Activity. Clin.Cancer Res., 18, 2012
6ERV	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor Authors: Mueller, J.M, Heine, A, Klebe, G. Deposit date: 2017-10-19 Release date: 2018-10-31 Last modified: 2019-05-15 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
6ERT	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193 and RKp117 Descriptor: [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor Authors: Mueller, J.M, Heine, A, Klebe, G. Deposit date: 2017-10-19 Release date: 2018-10-31 Last modified: 2019-10-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
3CEM	Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE9423 Descriptor: 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Glycogen phosphorylase, liver form, ... Authors: Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. Deposit date: 2008-02-29 Release date: 2008-05-27 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.47 Å) Cite: Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
3CEH	Human liver glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE5688 Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid, Glycogen phosphorylase, ... Authors: Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. Deposit date: 2008-02-29 Release date: 2008-05-27 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
6YB9	Human octameric PAICS in complex with SAICAR, AMP-PNP, and magnesium Descriptor: (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ... Authors: Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P. Deposit date: 2020-03-16 Release date: 2020-07-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.406 Å) Cite: Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target. J.Biol.Chem., 295, 2020
7ZDR	IF(apo/as isolated) conformation of CydDC mutant (H85A.C) in AMP-PNP(CydD) bound state (Dataset-16) Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ... Authors: Wu, D, Safarian, S. Deposit date: 2022-03-29 Release date: 2023-04-19 Last modified: 2023-11-01 Method: ELECTRON MICROSCOPY (3.05 Å) Cite: Dissecting the conformational complexity and mechanism of a bacterial heme transporter. Nat.Chem.Biol., 19, 2023
7ZDF	IF(heme/confined) conformation of CydDC in AMP-PNP(CydD) bound state (Dataset-4) Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ... Authors: Wu, D, Safarian, S. Deposit date: 2022-03-29 Release date: 2023-04-19 Last modified: 2023-11-01 Method: ELECTRON MICROSCOPY (2.94 Å) Cite: Dissecting the conformational complexity and mechanism of a bacterial heme transporter. Nat.Chem.Biol., 19, 2023
7ZDE	IF(apo/as isolated) conformation of CydDC in AMP-PNP(CydD) bound state (Dataset-4) Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ... Authors: Wu, D, Safarian, S. Deposit date: 2022-03-29 Release date: 2023-04-19 Last modified: 2023-11-01 Method: ELECTRON MICROSCOPY (3.17 Å) Cite: Dissecting the conformational complexity and mechanism of a bacterial heme transporter. Nat.Chem.Biol., 19, 2023
3GPB	COMPARISON OF THE BINDING OF GLUCOSE AND GLUCOSE-1-PHOSPHATE DERIVATIVES TO T-STATE GLYCOGEN PHOSPHORYLASE B Descriptor: 1-O-phosphono-alpha-D-glucopyranose, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE Authors: Martin, J.L, Johnson, L.N. Deposit date: 1990-06-04 Release date: 1992-10-15 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Comparison of the binding of glucose and glucose 1-phosphate derivatives to T-state glycogen phosphorylase b. Biochemistry, 29, 1990
3GZH	Crystal structure of phosphate-bound adenylosuccinate lyase from E. coli Descriptor: Adenylosuccinate lyase, PHOSPHATE ION, SODIUM ION Authors: Kozlov, G, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) Deposit date: 2009-04-07 Release date: 2009-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The structure of phosphate-bound Escherichia coli adenylosuccinate lyase identifies His171 as a catalytic acid. Acta Crystallogr.,Sect.F, 65, 2009
1IHU	CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI ARSENITE-TRANSLOCATING ATPASE IN COMPLEX WITH MG-ADP-ALF3 Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ARSENICAL PUMP-DRIVING ATPASE, ... Authors: Zhou, T, Radaev, S, Rosen, B.P, Gatti, D.L. Deposit date: 2001-04-20 Release date: 2001-09-12 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Conformational changes in four regions of the Escherichia coli ArsA ATPase link ATP hydrolysis to ion translocation. J.Biol.Chem., 276, 2001
7PA1	Structure of N-acetylglucosamine kinase from Plesiomonas shigelloides in complex with AMP-PNP in the absence of N-acetylglucoseamine substrate Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Roy, S, Isupov, M.N, Harmer, N.J, Ames, J.R. Deposit date: 2021-07-28 Release date: 2022-08-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases J.Biol.Chem., 2022
5JMV	Crystal structure of mjKae1-pfuPcc1 complex Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein, ... Authors: Wan, L, Sicheri, F. Deposit date: 2016-04-29 Release date: 2016-07-06 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.3864696 Å) Cite: Structural and functional characterization of KEOPS dimerization by Pcc1 and its role in t6A biosynthesis. Nucleic Acids Res., 44, 2016
3IDH	Human pancreatic glucokinase in complex with glucose Descriptor: Glucokinase, POTASSIUM ION, alpha-D-glucopyranose Authors: Petit, P, Gluais, L, Lagarde, A, Boutin, J.A, Ferry, G, Vuillard, L. Deposit date: 2009-07-21 Release date: 2010-07-28 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.14 Å) Cite: The active conformation of human glucokinase is not altered by allosteric activators Acta Crystallogr.,Sect.D, 67, 2011

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