7YWM
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7YY7
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7YY2
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7YY4
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7YXZ
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7LVI
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![BU of 7lvi by Molmil](/molmil-images/mine/7lvi) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | Descriptor: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | Authors: | Muckelbauer, J.K. | Deposit date: | 2021-02-25 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J.Med.Chem., 64, 2021
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4H59
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![BU of 4h59 by Molmil](/molmil-images/mine/4h59) | Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to Bis-tris propane | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Stogios, P.J, Wawrzak, Z, Kudritska, M, Minasov, G, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-09-18 | Release date: | 2012-10-03 | Last modified: | 2016-05-04 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to Bis-tris propane To be Published
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4G5Y
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![BU of 4g5y by Molmil](/molmil-images/mine/4g5y) | Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in a ternary complex with ATP and N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ETHANOL, GLYCEROL, ... | Authors: | Ciulli, A, Silvestre, H.L, Blundell, T.L, Abell, C. | Deposit date: | 2012-07-18 | Release date: | 2013-07-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc.Natl.Acad.Sci.USA, 110, 2013
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6SMR
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![BU of 6smr by Molmil](/molmil-images/mine/6smr) | A. thaliana serine hydroxymethyltransferase isoform 4 (AtSHMT4) in complex with methotrexate | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, METHOTREXATE, ... | Authors: | Ruszkowski, M, Sekula, B, Dauter, Z. | Deposit date: | 2019-08-22 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models. Sci Rep, 9, 2019
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5AI4
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![BU of 5ai4 by Molmil](/molmil-images/mine/5ai4) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-12 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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2RM5
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![BU of 2rm5 by Molmil](/molmil-images/mine/2rm5) | Glutathione peroxidase-type tryparedoxin peroxidase, oxidized form | Descriptor: | Glutathione peroxidase-like protein | Authors: | Melchers, J, Feher, K, Diechtierow, M, Krauth-Siegel, L, Tews, I, Muhle-Goll, C. | Deposit date: | 2007-10-03 | Release date: | 2008-07-29 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Structural basis for a distinct catalytic mechanism in Trypanosoma brucei tryparedoxin peroxidase J.Biol.Chem., 283, 2008
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2RM6
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![BU of 2rm6 by Molmil](/molmil-images/mine/2rm6) | Glutathione peroxidase-type tryparedoxin peroxidase, reduced form | Descriptor: | Glutathione peroxidase-like protein | Authors: | Melchers, J, Feher, K, Diechtierow, M, Krauth-Siegel, L, Muhle-Goll, C. | Deposit date: | 2007-10-09 | Release date: | 2008-07-29 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural basis for a distinct catalytic mechanism in Trypanosoma brucei tryparedoxin peroxidase J.Biol.Chem., 283, 2008
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1BHC
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1UA3
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5GNZ
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![BU of 5gnz by Molmil](/molmil-images/mine/5gnz) | The M3 mutant structure of Bgl6 | Descriptor: | Beta-glucosidase, GLYCEROL, beta-D-glucopyranose | Authors: | Xie, W, Pang, P, Cao, L.C, Liu, Y.H, Wang, Z. | Deposit date: | 2016-07-25 | Release date: | 2017-04-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of a glucose-tolerant beta-glucosidase provide insights into its mechanism. J. Struct. Biol., 198, 2017
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4XCA
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![BU of 4xca by Molmil](/molmil-images/mine/4xca) | Crystal Structure of HygX from Streptomyces hygroscopicus with nickel and 2-oxoglutarate bound | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, CESIUM ION, ... | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-17 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.295 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XC9
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![BU of 4xc9 by Molmil](/molmil-images/mine/4xc9) | Crystal Structure of apo HygX from Streptomyces hygroscopicus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, oxidase/hydroxylase | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-17 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XG1
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![BU of 4xg1 by Molmil](/molmil-images/mine/4xg1) | Psychromonas ingrahamii diaminopimelate decarboxylase with LLP | Descriptor: | (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid, Diaminopimelate decarboxylase, POTASSIUM ION, ... | Authors: | Peverelli, M.G, Wubben, J.M, Panjikar, S, Perugini, M.A. | Deposit date: | 2014-12-30 | Release date: | 2016-03-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Expression to crystallization of diaminopimelate decarboxylase from the psychrophile Psychromonas ingrahamii To Be Published
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3FL1
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![BU of 3fl1 by Molmil](/molmil-images/mine/3fl1) | X-ray structure of the non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease in complex with 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE | Descriptor: | 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE, Ribonuclease pancreatic, SULFATE ION, ... | Authors: | Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F. | Deposit date: | 2008-12-18 | Release date: | 2009-03-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants Biopolymers, 91, 2009
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1CGI
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![BU of 1cgi by Molmil](/molmil-images/mine/1cgi) | THREE-DIMENSIONAL STRUCTURE OF THE COMPLEXES BETWEEN BOVINE CHYMOTRYPSINOGEN*A AND TWO RECOMBINANT VARIANTS OF HUMAN PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL-TYPE) | Descriptor: | ALPHA-CHYMOTRYPSINOGEN, PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE) VARIANT 3 | Authors: | Hecht, H.J, Szardenings, M, Collins, J, Schomburg, D. | Deposit date: | 1991-10-08 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three-dimensional structure of the complexes between bovine chymotrypsinogen A and two recombinant variants of human pancreatic secretory trypsin inhibitor (Kazal-type). J.Mol.Biol., 220, 1991
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1CGJ
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![BU of 1cgj by Molmil](/molmil-images/mine/1cgj) | THREE-DIMENSIONAL STRUCTURE OF THE COMPLEXES BETWEEN BOVINE CHYMOTRYPSINOGEN*A AND TWO RECOMBINANT VARIANTS OF HUMAN PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL-TYPE) | Descriptor: | ALPHA-CHYMOTRYPSINOGEN, PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE) VARIANT 4 | Authors: | Hecht, H.J, Szardenings, M, Collins, J, Schomburg, D. | Deposit date: | 1991-10-08 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three-dimensional structure of the complexes between bovine chymotrypsinogen A and two recombinant variants of human pancreatic secretory trypsin inhibitor (Kazal-type). J.Mol.Biol., 220, 1991
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3FL3
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![BU of 3fl3 by Molmil](/molmil-images/mine/3fl3) | X-ray structure of the ligand free non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease | Descriptor: | Ribonuclease pancreatic, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | Authors: | Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F. | Deposit date: | 2008-12-18 | Release date: | 2009-03-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants Biopolymers, 91, 2009
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2OXE
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![BU of 2oxe by Molmil](/molmil-images/mine/2oxe) | Structure of the Human Pancreatic Lipase-related Protein 2 | Descriptor: | CALCIUM ION, CHLORIDE ION, Pancreatic lipase-related protein 2, ... | Authors: | Walker, J.R, Davis, T, Seitova, A, Finerty Jr, P.J, Butler-Cole, C, Kozieradzki, I, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-20 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of human pancreatic lipase-related protein 2 with the lid in an open conformation. Biochemistry, 47, 2008
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1D0D
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![BU of 1d0d by Molmil](/molmil-images/mine/1d0d) | CRYSTAL STRUCTURE OF TICK ANTICOAGULANT PROTEIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR | Descriptor: | ANTICOAGULANT PROTEIN, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | Authors: | St.Charles, R, Padmanabhan, K, Arni, R.V, Padmanabhan, K.P, Tulinsky, A. | Deposit date: | 1999-09-09 | Release date: | 2000-09-09 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure of tick anticoagulant peptide at 1.6 A resolution complexed with bovine pancreatic trypsin inhibitor. Protein Sci., 9, 2000
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1BZX
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![BU of 1bzx by Molmil](/molmil-images/mine/1bzx) | THE CRYSTAL STRUCTURE OF ANIONIC SALMON TRYPSIN IN COMPLEX WITH BOVINE PANCREATIC TRYPSIN INHIBITOR | Descriptor: | CALCIUM ION, PROTEIN (BOVINE PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN) | Authors: | Helland, R, Leiros, I, Berglund, G.I, Willassen, N.P, Smalas, A.O. | Deposit date: | 1998-11-05 | Release date: | 1998-11-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of anionic salmon trypsin in complex with bovine pancreatic trypsin inhibitor. Eur.J.Biochem., 256, 1998
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