2F3M
 
 | | Structure of human GLUTATHIONE S-TRANSFERASE M1A-1A complexed with 1-(S-(GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXADIENATE ANION | | Descriptor: | 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, Glutathione S-transferase Mu 1 | | Authors: | Patskovsky, Y, Patskovska, L, Almo, S.C, Listowsky, I. | | Deposit date: | 2005-11-21 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Transition state model and mechanism of nucleophilic aromatic substitution reactions catalyzed by human glutathione S-transferase M1a-1a.
Biochemistry, 45, 2006
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1W5T
 | | Structure of the Aeropyrum Pernix ORC2 protein (ADPNP-ADP complexes) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ORC2, ... | | Authors: | Singleton, M.R, Morales, R, Grainge, I, Cook, N, Isupov, M.N, Wigley, D.B. | | Deposit date: | 2004-08-09 | | Release date: | 2004-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformational Changes Induced by Nucleotide Binding in Cdc6/Orc from Aeropyrum Pernix
J.Mol.Biol., 343, 2004
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7EC7
 | | Crystal structure of SdgB (complexed with phosphate ions) | | Descriptor: | Glycosyl transferase, group 1 family protein, PHOSPHATE ION | | Authors: | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | | Deposit date: | 2021-03-11 | | Release date: | 2022-03-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Acta Crystallogr D Struct Biol, 77, 2021
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3V38
 | | Carboxypeptidase T mutant L254N | | Descriptor: | Carboxypeptidase T, GLYCEROL, SULFATE ION, ... | | Authors: | Timofeev, V.I, Kuznetsov, S.A, Akparov, V.K, Kuranova, I.P. | | Deposit date: | 2011-12-13 | | Release date: | 2012-12-19 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Carboxypeptidase T mutant L254N
TO BE PUBLISHED
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7EC3
 | | Crystal structure of SdgB (complexed with UDP, GlcNAc, and Glycosylated peptide) | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-35)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-65)]5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl transferase, ... | | Authors: | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | | Deposit date: | 2021-03-11 | | Release date: | 2022-03-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Acta Crystallogr D Struct Biol, 77, 2021
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1W5S
 | | Structure of the Aeropyrum Pernix ORC2 protein (ADP form) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ORIGIN RECOGNITION COMPLEX SUBUNIT 2 ORC2, SULFATE ION | | Authors: | Singleton, M.R, Morales, R, Grainge, I, Cook, N, Isupov, M.N, Wigley, D.B. | | Deposit date: | 2004-08-09 | | Release date: | 2004-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformational Changes Induced by Nucleotide Binding in Cdc6/Orc from Aeropyrum Pernix
J.Mol.Biol., 343, 2004
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1DXD
 | | Photolyzed CO complex of Myoglobin Mb-YQR at 20K | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Brunori, M, Vallone, B, Cutruzzola, F, Travaglini-Allocatelli, C, Berendzen, J, Chu, K, Sweet, R.M, Schlichting, I. | | Deposit date: | 2000-01-03 | | Release date: | 2000-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Role of Cavities in Protein Dynamics: Crystal Structure of a Photolytic Intermediate of a Mutant Myoglobin.
Proc.Natl.Acad.Sci.USA, 97, 2000
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7K66
 | | Structure of Blood Coagulation Factor VIII in Complex with an Anti-C1 Domain Pathogenic Antibody Inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A9 heavy chain, ... | | Authors: | Childers, K.C, Gish, J, Jarvis, L, Peters, S, Garrels, C, Smith, I.W, Spencer, H.T, Spiegel, P.C. | | Deposit date: | 2020-09-18 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.92 Å) | | Cite: | Structure of blood coagulation factor VIII in complex with an anti-C1 domain pathogenic antibody inhibitor.
Blood, 137, 2021
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1DZ8
 | | oxygen complex of p450cam from pseudomonas putida | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | | Deposit date: | 2000-02-18 | | Release date: | 2000-03-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000
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1DZ6
 | | ferrous p450cam from pseudomonas putida | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | | Deposit date: | 2000-02-18 | | Release date: | 2000-03-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000
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1DZ9
 | | Putative oxo complex of P450cam from Pseudomonas putida | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | | Deposit date: | 2000-02-18 | | Release date: | 2000-03-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000
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1WE5
 | | Crystal Structure of Alpha-Xylosidase from Escherichia coli | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative family 31 glucosidase yicI | | Authors: | Ose, T, Kitamura, M, Okuyama, M, Mori, H, Kimura, A, Watanabe, N, Yao, M, Tanaka, I. | | Deposit date: | 2004-05-24 | | Release date: | 2005-02-15 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Alpha-Xylosidase from Escherichia coli
TO BE PUBLISHED
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2C5X
 | | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | | Authors: | Kontopidis, G, Mcinnes, C, Pandalaneni, S.R, Mcnae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2005-11-03 | | Release date: | 2006-03-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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3K1X
 | | Acidic Fibroblast Growth Factor (FGF-1) complexed with dobesilate | | Descriptor: | 2,5-dihydroxybenzenesulfonic acid, Heparin-binding growth factor 1 | | Authors: | Romero, A, Fernandez, I.S, Gimenez-Gallego, G. | | Deposit date: | 2009-09-29 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors.
J.Biol.Chem., 285, 2010
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2Y3D
 | | Zn-bound form of Cupriavidus metallidurans CH34 CnrXs | | Descriptor: | CHLORIDE ION, NICKEL AND COBALT RESISTANCE PROTEIN CNRR, ZINC ION | | Authors: | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | | Deposit date: | 2010-12-20 | | Release date: | 2011-03-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Metal Sensing by Cnrx.
J.Mol.Biol., 408, 2011
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7KR5
 | | Cryo-EM structure of the CRAC channel Orai in an open conformation; H206A gain-of-function mutation in complex with an antibody | | Descriptor: | 19B5 Fab heavy chain, 19B5 Fab light chain, CALCIUM ION, ... | | Authors: | Long, S.B, Hou, X, Outhwaite, I.R. | | Deposit date: | 2020-11-18 | | Release date: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of the calcium release-activated calcium channel Orai in an open conformation.
Elife, 9, 2020
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1DPT
 | | D-DOPACHROME TAUTOMERASE | | Descriptor: | D-DOPACHROME TAUTOMERASE | | Authors: | Sugimoto, H, Taniguchi, M, Nakagawa, A, Tanaka, I. | | Deposit date: | 1998-05-11 | | Release date: | 1999-03-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structure of human D-dopachrome tautomerase, a homologue of macrophage migration inhibitory factor, at 1.54 A resolution.
Biochemistry, 38, 1999
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7L5D
 | | The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-12-21 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
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6HDD
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3P06
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3LZO
 | | Crystal Structure Analysis of the copper-reconstituted P19 protein from Campylobacter jejuni at 1.65 A at pH 10.0 | | Descriptor: | COPPER (II) ION, P19 protein, SULFATE ION | | Authors: | Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P. | | Deposit date: | 2010-03-01 | | Release date: | 2010-07-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni.
J.Mol.Biol., 401, 2010
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7EC1
 | | Crystal structure of SdgB (ligand-free form) | | Descriptor: | GLYCEROL, Glycosyl transferase, group 1 family protein, ... | | Authors: | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | | Deposit date: | 2021-03-11 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Acta Crystallogr D Struct Biol, 77, 2021
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7Q2I
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Tetrahydrofurfurylamine | | Descriptor: | 1-[(2R)-oxolan-2-yl]methanamine, Cholinephosphate cytidylyltransferase, Guanidinium | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-25 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7Q2L
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-Aminopyrrolidin-2-one hydrochloride | | Descriptor: | (3R)-3-aminopyrrolidin-2-one, Cholinephosphate cytidylyltransferase | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-25 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7KKL
 | | SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | | Deposit date: | 2020-10-27 | | Release date: | 2020-11-11 | | Last modified: | 2021-04-21 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
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