8QFZ
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![BU of 8qfz by Molmil](/molmil-images/mine/8qfz) | TSLP-Bicycle complex | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin | Authors: | Petersen, J. | Deposit date: | 2023-09-05 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin. J.Med.Chem., 67, 2024
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2ZZU
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![BU of 2zzu by Molmil](/molmil-images/mine/2zzu) | Human Factor VIIA-Tissue Factor Complexed with ethylsulfonamide-D-5-(3-carboxybenzyloxy)-Trp-Gln-p-aminobenzamidine | Descriptor: | 3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T. | Deposit date: | 2009-02-25 | Release date: | 2009-03-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and synthesis of peptidomimetic factor VIIa inhibitors Chem.Pharm.Bull., 58, 2010
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4A7Q
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![BU of 4a7q by Molmil](/molmil-images/mine/4a7q) | Structure of human I113T SOD1 mutant complexed with 4-(4-methyl-1,4- diazepan-1-yl)quinazoline in the p21 space group. | Descriptor: | 4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE, COPPER (II) ION, SULFATE ION, ... | Authors: | Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S. | Deposit date: | 2011-11-14 | Release date: | 2012-10-24 | Last modified: | 2013-08-28 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | X-Ray Crystallography and Computational Docking for the Detection and Development of Protein-Ligand Interactions. Curr.Med.Chem., 20, 2013
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4A7G
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![BU of 4a7g by Molmil](/molmil-images/mine/4a7g) | Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group. | Descriptor: | 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE, ACETATE ION, COPPER (II) ION, ... | Authors: | Wright, G.S.A, Kershaw, N.M, Sharma, R, Antonyuk, S.V, Strange, R.W, Berry, N.G, O'Neil, P.M, Hasnain, S.S. | Deposit date: | 2011-11-14 | Release date: | 2012-10-24 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | X-ray crystallography and computational docking for the detection and development of protein-ligand interactions. Curr.Med.Chem., 20, 2013
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5WMV
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![BU of 5wmv by Molmil](/molmil-images/mine/5wmv) | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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5WMU
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![BU of 5wmu by Molmil](/molmil-images/mine/5wmu) | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase I | Descriptor: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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2VKA
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![BU of 2vka by Molmil](/molmil-images/mine/2vka) | Site-Directed Mutagenesis of the Catalytic Tryptophan Environment in Pleurotus eryngii Versatile Peroxidase | Descriptor: | CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ruiz-Duenas, F.J, Morales, M, Mate, M.J, Romero, A, Martinez, M.J, Smith, A, Martinez, A.T. | Deposit date: | 2007-12-18 | Release date: | 2008-01-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Site-Directed Mutagenesis of the Catalytic Tryptophan Environment in Pleurotus Eryngii Versatile Peroxidase Biochemistry, 47, 2008
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3TZE
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![BU of 3tze by Molmil](/molmil-images/mine/3tze) | |
5YPF
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![BU of 5ypf by Molmil](/molmil-images/mine/5ypf) | p62/SQSTM1 ZZ domain with Trp-peptide | Descriptor: | 78 kDa glucose-regulated protein,Sequestosome-1, ZINC ION | Authors: | Kwon, D.H, Kim, L, Song, H.K. | Deposit date: | 2017-11-01 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.951 Å) | Cite: | Insights into degradation mechanism of N-end rule substrates by p62/SQSTM1 autophagy adapter. Nat Commun, 9, 2018
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5YTO
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![BU of 5yto by Molmil](/molmil-images/mine/5yto) | |
5YUL
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![BU of 5yul by Molmil](/molmil-images/mine/5yul) | Native Structure of hSOD1 in P6322 space group | Descriptor: | Dihydrogen tetrasulfide, GLYCEROL, Superoxide dismutase [Cu-Zn], ... | Authors: | Manjula, R, Padmanabhan, B. | Deposit date: | 2017-11-22 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation FEBS Lett., 592, 2018
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1CCP
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![BU of 1ccp by Molmil](/molmil-images/mine/1ccp) | X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE | Authors: | Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J. | Deposit date: | 1990-02-28 | Release date: | 1991-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis. Biochemistry, 29, 1990
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1CCK
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![BU of 1cck by Molmil](/molmil-images/mine/1cck) | ALTERING SUBSTRATE SPECIFICITY OF CYTOCHROME C PEROXIDASE TOWARDS A SMALL MOLECULAR SUBSTRATE PEROXIDASE BY SUBSTITUTING TYROSINE FOR PHE 202 | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Cao, Y, Musah, R.A, Wilcox, S.K, Goodin, D.B, Mcree, D.E. | Deposit date: | 1998-01-02 | Release date: | 1998-11-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of recombinant pea cytosolic ascorbate peroxidase. Biochemistry, 34, 1995
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3UT2
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![BU of 3ut2 by Molmil](/molmil-images/mine/3ut2) | Crystal Structure of Fungal MagKatG2 | Descriptor: | Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Zamocky, M, Garcia-Fernandez, M.Q, Gasselhuber, B, Jakopitsch, C, Furtmuller, P.G, Loewen, P.C, Fita, I, Obinger, C, Carpena, X. | Deposit date: | 2011-11-24 | Release date: | 2012-07-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | High Conformational Stability of Secreted Eukaryotic Catalase-peroxidases: ANSWERS FROM FIRST CRYSTAL STRUCTURE AND UNFOLDING STUDIES. J.Biol.Chem., 287, 2012
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5ZJ5
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![BU of 5zj5 by Molmil](/molmil-images/mine/5zj5) | Guanine-specific ADP-ribosyltransferase with NADH and GDP | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADP-ribosyltransferase, GUANOSINE-5'-DIPHOSPHATE | Authors: | Yoshida, T, Tsuge, H. | Deposit date: | 2018-03-19 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.568112 Å) | Cite: | Substrate N2atom recognition mechanism in pierisin family DNA-targeting, guanine-specific ADP-ribosyltransferase ScARP. J. Biol. Chem., 293, 2018
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5ZJ4
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![BU of 5zj4 by Molmil](/molmil-images/mine/5zj4) | Guanine-specific ADP-ribosyltransferase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADP-ribosyltransferase | Authors: | Yoshida, T, Tsuge, H. | Deposit date: | 2018-03-19 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49739277 Å) | Cite: | Substrate N2atom recognition mechanism in pierisin family DNA-targeting, guanine-specific ADP-ribosyltransferase ScARP. J. Biol. Chem., 293, 2018
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8EYP
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![BU of 8eyp by Molmil](/molmil-images/mine/8eyp) | Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal | Descriptor: | SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain | Authors: | Drago, V.N, Kovalevsky, A, Blakeley, M.P, Forsyth, V.T, Mueser, T.C. | Deposit date: | 2022-10-28 | Release date: | 2024-02-14 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase. Cell Rep Phys Sci, 5, 2024
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8EYS
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8EZC
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1K8Y
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![BU of 1k8y by Molmil](/molmil-images/mine/1k8y) | CRYSTAL STRUCTURE OF THE TRYPTOPHAN SYNTHASE BETA-SER178PRO MUTANT COMPLEXED WITH D,L-ALPHA-GLYCEROL-3-PHOSPHATE | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | Authors: | Weyand, M, Schlichting, I, Marabotti, A, Mozzarelli, A. | Deposit date: | 2001-10-26 | Release date: | 2002-06-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the beta Ser178--> Pro mutant of tryptophan synthase. A "knock-out" allosteric enzyme. J.Biol.Chem., 277, 2002
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1TTP
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![BU of 1ttp by Molmil](/molmil-images/mine/1ttp) | TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF CESIUM, ROOM TEMPERATURE | Descriptor: | CESIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE | Authors: | Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R. | Deposit date: | 1995-10-11 | Release date: | 1996-03-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex. Biochemistry, 35, 1996
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6ZD9
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![BU of 6zd9 by Molmil](/molmil-images/mine/6zd9) | Crystal structure of YTHDC1 apo purified using GST tag | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Caflisch, A. | Deposit date: | 2020-06-14 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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1KFJ
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![BU of 1kfj by Molmil](/molmil-images/mine/1kfj) | CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH L-SERINE | Descriptor: | SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, TRYPTOPHAN SYNTHASE BETA CHAIN, ... | Authors: | Kulik, V, Weyand, M, Seidel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | Deposit date: | 2001-11-21 | Release date: | 2003-10-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | On the role of alphaThr183 in the allosteric regulation and catalytic mechanism of tryptophan synthase. J.Mol.Biol., 324, 2002
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1NG8
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![BU of 1ng8 by Molmil](/molmil-images/mine/1ng8) | |
1TTQ
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![BU of 1ttq by Molmil](/molmil-images/mine/1ttq) | TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF POTASSIUM AT ROOM TEMPERATURE | Descriptor: | POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE | Authors: | Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R. | Deposit date: | 1995-10-11 | Release date: | 1996-03-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex. Biochemistry, 35, 1996
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