1JUU
| NMR Structure of a Parallel Stranded DNA Duplex at Atomic Resolution | Descriptor: | 5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3', 5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3' | Authors: | Parvathy, V.R, Bhaumik, S.R, Chary, K.V.R, Govil, G, Liu, K, Howard, F.B, Miles, H.T. | Deposit date: | 2001-08-28 | Release date: | 2002-04-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of a parallel-stranded DNA duplex at atomic resolution. Nucleic Acids Res., 30, 2002
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3O6X
| Crystal Structure of the type III Glutamine Synthetase from Bacteroides fragilis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Glutamine synthetase, ... | Authors: | van Rooyen, J.M, Belrhali, H, Abratt, V.R, Sewell, B.T. | Deposit date: | 2010-07-29 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal Structure of Type III Glutamine Synthetase: Surprising Reversal of the Inter-Ring Interface. Structure, 19, 2011
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6DXK
| Glucocorticoid Receptor in complex with Compound 11 | Descriptor: | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor | Authors: | Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S. | Deposit date: | 2018-06-29 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101). J. Med. Chem., 61, 2018
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6FVH
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6FVE
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1YJS
| K226Q Mutant Of Serine Hydroxymethyltransferase From B. Stearothermophilus, Complex With Glycine | Descriptor: | GLYCINE, PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Bhavani, S, Trivedi, V, Jala, V.R, Subramanya, H.S, Kaul, P, Purnima, K, Prakash, V, Appaji, R.N, Savithri, H.S. | Deposit date: | 2005-01-15 | Release date: | 2005-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Role of Lys-226 in the Catalytic Mechanism of Bacillus Stearothermophilus Serine Hydroxymethyltransferase-Crystal Structure and Kinetic Studies Biochemistry, 44, 2005
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1YJY
| K226M Mutant Of Serine Hydroxymethyltransferase From B. Stearothermophilus, Complex With Serine | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE, SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Bhavani, S, Trivedi, V, Jala, V.R, Subramanya, H.S, Kaul, P, Purnima, K, Prakash, V, Appaji, R.N, Savithri, H.S. | Deposit date: | 2005-01-16 | Release date: | 2005-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Role of Lys-226 in the Catalytic Mechanism of Bacillus Stearothermophilus Serine Hydroxymethyltransferase-Crystal Structure and Kinetic Studies Biochemistry, 44, 2005
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1YJZ
| K226M Mutant Of Serine Hydroxymethyltransferase From B. Stearothermophilus | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Bhavani, S, Trivedi, V, Jala, V.R, Subramanya, H.S, Kaul, P, Purnima, K, Prakash, V, Appaji, R.N, Savithri, H.S. | Deposit date: | 2005-01-16 | Release date: | 2005-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Role of Lys-226 in the Catalytic Mechanism of Bacillus Stearothermophilus Serine Hydroxymethyltransferase-Crystal Structure and Kinetic Studies Biochemistry, 44, 2005
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2A6L
| Dihydrodipicolinate synthase (E. coli)- mutant R138H | Descriptor: | Dihydrodipicolinate synthase, POTASSIUM ION | Authors: | Dobson, R.C, Devenish, S.R, Turner, L.A, Clifford, V.R, Pearce, F.G, Jameson, G.B, Gerrard, J.A. | Deposit date: | 2005-07-03 | Release date: | 2005-10-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Role of Arginine 138 in the Catalysis and Regulation of Escherichia coli Dihydrodipicolinate Synthase. Biochemistry, 44, 2005
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2A6N
| Dihydrodipicolinate synthase (E. coli)- mutant R138A | Descriptor: | Dihydrodipicolinate synthase, POTASSIUM ION | Authors: | Dobson, R.C, Devenish, S.R, Turner, L.A, Clifford, V.R, Pearce, F.G, Jameson, G.B, Gerrard, J.A. | Deposit date: | 2005-07-03 | Release date: | 2005-10-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Role of Arginine 138 in the Catalysis and Regulation of Escherichia coli Dihydrodipicolinate Synthase. Biochemistry, 44, 2005
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3U9Q
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1MWQ
| Structure of HI0828, a Hypothetical Protein from Haemophilus influenzae with a Putative Active-Site Phosphohistidine | Descriptor: | CACODYLATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Willis, M.A, Krajewski, W, Chalamasetty, V.R, Reddy, P, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | Deposit date: | 2002-09-30 | Release date: | 2003-11-25 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Structure of YciI from Haemophilus influenzae (HI0828) reveals a ferredoxin-like alpha/beta-fold with a histidine/aspartate centered catalytic site Proteins, 59, 2005
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1MJW
| STRUCTURE OF INORGANIC PYROPHOSPHATASE MUTANT D42N | Descriptor: | INORGANIC PYROPHOSPHATASE, SULFATE ION | Authors: | Oganesyan, V, Harutyunyan, E.H, Avaeva, S.M, Samygina, V.R, Huber, R. | Deposit date: | 1997-02-08 | Release date: | 1997-12-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Three-dimensional structures of mutant forms of E. coli inorganic pyrophosphatase with Asp-->Asn single substitution in positions 42, 65, 70, and 97. Biochemistry Mosc., 63, 1998
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7QFC
| Crystal structure of cytotoxin 13 from Naja naja, orthorhombic form | Descriptor: | Cytotoxin 13 | Authors: | Samygina, V.R, Dubova, K.M, Bourenkov, G, Utkin, Y.N, Dubovskii, P.V. | Deposit date: | 2021-12-05 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Variability in the Spatial Structure of the Central Loop in Cobra Cytotoxins Revealed by X-ray Analysis and Molecular Modeling. Toxins, 14, 2022
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7QHI
| Crystal structure of cytotoxin 13 from Naja naja, hexagonal form | Descriptor: | Cytotoxin 13 | Authors: | Samygina, V.R, Dubova, K.M, Bourenkov, G, Utkin, Y.N, Dubovskii, P.V. | Deposit date: | 2021-12-12 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Variability in the Spatial Structure of the Central Loop in Cobra Cytotoxins Revealed by X-ray Analysis and Molecular Modeling. Toxins, 14, 2022
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7QLP
| Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | Deposit date: | 2021-12-20 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
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7QNK
| Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution | Descriptor: | ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | Deposit date: | 2021-12-21 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
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7QOR
| Structure of beta-lactamase TEM-171 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M. | Deposit date: | 2021-12-28 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
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1B9V
| NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE | Descriptor: | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zahao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 1999-02-15 | Release date: | 1999-02-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
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1B9T
| NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE | Descriptor: | 1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 1999-02-15 | Release date: | 1999-02-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
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8R2L
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1B9S
| NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID, CALCIUM ION, ... | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 1999-02-15 | Release date: | 1999-02-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
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8QQH
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3GPW
| Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: irreversible inhibitor ligand | Descriptor: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Proteasome component C1, Proteasome component C11, ... | Authors: | Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B. | Deposit date: | 2009-03-23 | Release date: | 2009-09-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition J.Med.Chem., 52, 2009
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3I3Z
| Human insulin | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Timofeev, V.I, Bezuglov, V.V, Miroshnikov, K.A, Cuprov-Netochin, R.N, Samigina, V.R, Kuranova, I.P. | Deposit date: | 2009-07-01 | Release date: | 2010-01-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray investigation of gene-engineered human insulin crystallized from a solution containing polysialic acid. Acta Crystallogr.,Sect.F, 66, 2010
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