3FIB
 
 | | RECOMBINANT HUMAN GAMMA-FIBRINOGEN CARBOXYL TERMINAL FRAGMENT (RESIDUES 143-411) BOUND TO CALCIUM AT PH 6.0: A FURTHER REFINEMENT OF PDB ENTRY 1FIB, AND DIFFERS FROM 1FIB BY THE MODELLING OF A CIS PEPTIDE BOND BETWEEN RESIDUES K338 AND C339 | | Descriptor: | CALCIUM ION, FIBRINOGEN GAMMA CHAIN RESIDUES | | Authors: | Pratt, K.P, Cote, H.C.F, Chung, D.W, Stenkamp, R.E, Davie, E.W. | | Deposit date: | 1997-07-14 | | Release date: | 1997-09-17 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The primary fibrin polymerization pocket: three-dimensional structure of a 30-kDa C-terminal gamma chain fragment complexed with the peptide Gly-Pro-Arg-Pro.
Proc.Natl.Acad.Sci.USA, 94, 1997
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4LNI
 | | B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of the transition state complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ... | | Authors: | Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L. | | Deposit date: | 2013-07-11 | | Release date: | 2013-11-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5793 Å) | | Cite: | Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
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5CPR
 | | The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity | | Descriptor: | 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ... | | Authors: | Jakob, C.G, Upadhyay, A.K, Sun, C. | | Deposit date: | 2015-07-21 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.
Nat. Chem. Biol., 13, 2017
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2EC1
 | | Solution structure of the RanBD1 domain from human Nucleoporin 50 kDa | | Descriptor: | Nucleoporin 50 kDa | | Authors: | Zhang, H.P, Kurosaki, C, Yoshida, M, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-02-09 | | Release date: | 2007-08-14 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the RanBD1 domain from human Nucleoporin 50 kDa
To be published
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1N2N
 | | Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase. | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, CYANIDE ION, ... | | Authors: | Fedorov, R, Ghosh, D.K, Schlichting, I. | | Deposit date: | 2002-10-23 | | Release date: | 2003-02-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of cyanide complexes of P450cam and the oxygenase domain of inducible nitric oxide synthase-structural models of the short-lived oxygen complexes
Arch.Biochem.Biophys., 409, 2003
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1N2Y
 | | SOLUTION STRUCTURE OF SS-CYCLIZED CATESTATIN FRAGMENT FROM CHROMOGRANIN A | | Descriptor: | CATESTATIN | | Authors: | Preece, N.E, Nguyen, M, Mahata, M, Mahata, S.K, Mahapatra, N.R, Tsigelny, I, O'Connor, D.T. | | Deposit date: | 2002-10-24 | | Release date: | 2002-11-13 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Conformational preferences and activities of peptides from the catecholamine
release-inhibitory (catestatin) region of chromogranin A
Regul.Pept., 118, 2004
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2VOY
 | | CryoEM model of CopA, the copper transporting ATPase from Archaeoglobus fulgidus | | Descriptor: | CATION-TRANSPORTING ATPASE, P-TYPE, POTENTIAL COPPER-TRANSPORTING ATPASE, ... | | Authors: | Wu, C.-C, Rice, W.J, Stokes, D.L. | | Deposit date: | 2008-02-25 | | Release date: | 2009-05-26 | | Last modified: | 2022-05-04 | | Method: | ELECTRON MICROSCOPY (18 Å) | | Cite: | Structure of a Copper Pump Suggests a Regulatory Role for its Metal-Binding Domain.
Structure, 16, 2008
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7QOI
 | | Unique vertex of the phicrAss001 virion | | Descriptor: | Auxiliary capsid protein gp36, Cargo protein 1 gp45, Head fiber trimer protein gp21, ... | | Authors: | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | | Deposit date: | 2021-12-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Structural atlas of a human gut crassvirus.
Nature, 617, 2023
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8VQ3
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | Deposit date: | 2024-01-17 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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4LKO
 | | Crystal structure of human DPP-IV in complex with BMS-744891 | | Descriptor: | 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4 | | Authors: | Klei, H.E. | | Deposit date: | 2013-07-08 | | Release date: | 2013-09-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
J.Med.Chem., 56, 2013
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7QPV
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-05 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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1N3R
 | | Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | | Descriptor: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-10-29 | | Release date: | 2003-10-14 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
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8VKL
 | | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (conformation 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | | Deposit date: | 2024-01-09 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition
To Be Published
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7QAR
 | | Serial crystallography structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-methyl uric acid at room temperature | | Descriptor: | (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase | | Authors: | Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A. | | Deposit date: | 2021-11-17 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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1MUZ
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7QPQ
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-05 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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2VXJ
 | | CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH AGAL13BGAL14GLC AT 1.9 A RESOLUTION | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PA-I GALACTOPHILIC LECTIN, ... | | Authors: | Blanchard, B, Nurisso, A, Hollville, E, Tetaud, C, Wiels, J, Pokorna, M, Wimmerova, M, Varrot, A, Imberty, A. | | Deposit date: | 2008-07-04 | | Release date: | 2008-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of the Preferential Binding for Globo-Series Glycosphingolipids Displayed by Pseudomonas Aeruginosa Lectin I.
J.Mol.Biol., 383, 2008
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3FV9
 | | Crystal structure of putative mandelate racemase/muconatelactonizing enzyme from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium | | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | | Authors: | Malashkevich, V.N, Rutter, M, Bain, K.T, Lau, C, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-01-15 | | Release date: | 2009-01-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of putative mandelate racemase/muconatelactonizing enzyme from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium
to be published
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2W82
 | | The structure of ArdA | | Descriptor: | ORF18 | | Authors: | McMahon, S.A, Roberts, G.A, Carter, L.G, Cooper, L.P, Liu, H, White, J.H, Johnson, K.A, Sanghvi, B, Oke, M, Walkinshaw, M.D, Blakely, G, Naismith, J.H, Dryden, D.T.F. | | Deposit date: | 2009-01-08 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Extensive DNA Mimicry by the Arda Anti-Restriction Protein and its Role in the Spread of Antibiotic Resistance.
Nucleic Acids Res., 37, 2009
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7QUH
 | | Siglec-8 in complex with therapeutic Fab AK002. | | Descriptor: | Sialic acid-binding Ig-like lectin 8, Sialic acid-binding immunoglobulin-type lectin | | Authors: | Lenza, M.P, Oyenarte, I, Jimenez Barbero, J, Ereno Orbea, J. | | Deposit date: | 2022-01-18 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.867 Å) | | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
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4LLR
 | | Tryparedoxin peroxidase (TXNPX) from trypanosoma cruzi in the reduced state | | Descriptor: | Tryparedoxin peroxidase | | Authors: | Pineyro, M.D, Pizarro, J.C, Lema, F, Pritsch, O, Cayota, A, Bentley, G.A, Robello, C. | | Deposit date: | 2013-07-09 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the TRYPAREDOXIN PEROXIDASE from the human parasite TRYPANOSOMA CRUZI
J.STRUCT.BIOL., 150, 2005
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7QRI
 | | Regulatory domain dimer of tryptophan hydroxylase 2 in complex with L-Phe | | Descriptor: | PHENYLALANINE, Tryptophan 5-hydroxylase 2 | | Authors: | Vedel, I.M, Prestel, A, Harris, P, Peters, G.H.J, Kragelund, B.B. | | Deposit date: | 2022-01-11 | | Release date: | 2023-05-03 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural characterization of human tryptophan hydroxylase 2 reveals that L-Phe is superior to L-Trp as the regulatory domain ligand.
Structure, 31, 2023
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7QBJ
 | | bacterial IMPDH chimera | | Descriptor: | Inosine-5'-monophosphate dehydrogenase | | Authors: | Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A. | | Deposit date: | 2021-11-19 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
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4LO4
 | | Apo HA-70 | | Descriptor: | CHLORIDE ION, HA-70 | | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.871 Å) | | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
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5AGP
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid | | Descriptor: | (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-02-02 | | Release date: | 2015-04-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
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