8HVR
 
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2YGX
 | | Structure of the mixed-function P450 MycG in P21 space group | | Descriptor: | GLYCEROL, P-450-LIKE PROTEIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Li, S, Kells, P.M, Rutaganira, F.U, Sherman, D.H, Podust, L.M. | | Deposit date: | 2011-04-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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5J7F
 | | Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. | | Descriptor: | 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. | | Deposit date: | 2016-04-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers.
J. Med. Chem., 60, 2017
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2DVF
 | | Crystals of peanut lectin grown in the presence of GAL-ALPHA-1,3-GAL-BETA-1,4-GAL | | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | | Authors: | Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. | | Deposit date: | 2006-07-31 | | Release date: | 2006-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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4I56
 | | HMG-CoA reductase from pseudomonas mevalonii complexed with dithio-HMG-coa | | Descriptor: | (3S,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, ... | | Authors: | Steussy, C.N, Stauffacher, C.V, Schmidt, T, Crichelow, C.J, Rodwell, V.W, Wrensford, L.V, Min, J, Burgner II, J.W. | | Deposit date: | 2012-11-28 | | Release date: | 2013-07-17 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
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5BVE
 | | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | | Descriptor: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Ma, X, Steven, S. | | Deposit date: | 2015-06-05 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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1ID8
 | | NMR STRUCTURE OF GLUTAMATE MUTASE (B12-BINDING SUBUNIT) COMPLEXED WITH THE VITAMIN B12 NUCLEOTIDE | | Descriptor: | 2-HYDROXY-PROPYL-AMMONIUM, METHYLASPARTATE MUTASE S CHAIN, PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER | | Authors: | Tollinger, M, Eichmuller, C, Konrat, R, Huhta, M.S, Marsh, E.N.G, Krautler, B. | | Deposit date: | 2001-04-04 | | Release date: | 2001-06-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The B(12)-binding subunit of glutamate mutase from Clostridium tetanomorphum traps the nucleotide moiety of coenzyme B(12).
J.Mol.Biol., 309, 2001
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1ZNX
 | | Crystal Structure Of Mycobacterium tuberculosis Guanylate Kinase In Complex With GMP | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Guanylate kinase | | Authors: | Hible, G, Christova, P, Renault, L, Seclaman, E, Thompson, A, Girard, E, Munier-Lehmann, H, Cherfils, J. | | Deposit date: | 2005-05-12 | | Release date: | 2005-11-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Unique GMP-binding site in Mycobacterium tuberculosis guanosine monophosphate kinase
Proteins, 62, 2006
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1BSS
 | | ECORV-T93A/DNA/CA2+ | | Descriptor: | 5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*T)-3', CALCIUM ION, ECORV ENDONUCLEASE | | Authors: | Perona, J.J, Horton, N.C. | | Deposit date: | 1998-08-30 | | Release date: | 1998-09-02 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Metal ion-mediated substrate-assisted catalysis in type II restriction endonucleases
Proc.Natl.Acad.Sci.USA, 95, 1998
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4MSH
 | | Crystal Structure of PDE10A2 with fragment ZT0143 ((2S)-4-chloro-2,3-dihydro-1,3-benzothiazol-2-amine) | | Descriptor: | 4-chloro-1,3-benzothiazol-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | | Deposit date: | 2013-09-18 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
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2L0R
 | | Conformational Dynamics of the Anthrax Lethal Factor Catalytic Center | | Descriptor: | Lethal factor | | Authors: | Dalkas, G.A, Chasapis, C.T, Gkazonis, P.V, Bentrop, D.A, Spyroulias, G.A. | | Deposit date: | 2010-07-15 | | Release date: | 2010-12-22 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Conformational dynamics of the anthrax lethal factor catalytic center.
Biochemistry, 49, 2010
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1Q90
 | | Structure of the cytochrome b6f (plastohydroquinone : plastocyanin oxidoreductase) from Chlamydomonas reinhardtii | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE, ... | | Authors: | Stroebel, D, Choquet, Y, Popot, J.-L, Picot, D. | | Deposit date: | 2003-08-22 | | Release date: | 2003-12-09 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | An Atypical Haem in the Cytochrome B6F Complex
Nature, 426, 2003
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5Q0D
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0F
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0H
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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1I5Y
 | | HIV-1 GP41 CORE | | Descriptor: | SULFATE ION, TRANSMEMBRANE GLYCOPROTEIN (GP41) | | Authors: | Liu, J, Lu, M. | | Deposit date: | 2001-03-01 | | Release date: | 2002-09-10 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and functional analysis of interhelical interactions in the human
immunodeficiency virus type 1 gp41 envelope glycoprotein by alanine-scanning
mutagenesis.
J.Virol., 75, 2001
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1ZPH
 | | Crystal structure analysis of the minor groove binding quinolinium quaternary salt SN 8315 complexed with CGCGAATTCGCG | | Descriptor: | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Adams, A, Leong, C, Denny, W.A, Guss, J.M. | | Deposit date: | 2005-05-16 | | Release date: | 2005-10-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of two minor-groove-binding quinolinium quaternary salts complexed with d(CGCGAATTCGCG)(2) at 1.6 and 1.8 Angstrom resolution.
Acta Crystallogr.,Sect.D, 61, 2005
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5J7G
 | | Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. | | Descriptor: | 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. | | Deposit date: | 2016-04-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers.
J. Med. Chem., 60, 2017
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7TPS
 | | Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Demonte, D.W, Maurer, M.F, Akutsu, M, Kimbung, Y.R, Logan, D.T, Walse, B. | | Deposit date: | 2022-01-26 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | The engineered CD80 variant fusion therapeutic davoceticept combines checkpoint antagonism with conditional CD28 costimulation for anti-tumor immunity.
Nat Commun, 13, 2022
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1TVW
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2WHF
 | | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines | | Descriptor: | 1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 130 | | Authors: | Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. | | Deposit date: | 2009-05-04 | | Release date: | 2009-07-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.
J. Biol. Chem., 284, 2009
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2DVD
 | | Crystal structure of peanut lectin GAL-ALPHA-1,3-GAL complex | | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | | Authors: | Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. | | Deposit date: | 2006-07-31 | | Release date: | 2006-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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1BZE
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5C1H
 | | Crystal structure of ABBB + UDP + DI | | Descriptor: | GALACTOSE-URIDINE-5'-DIPHOSPHATE, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | Authors: | Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V. | | Deposit date: | 2015-06-13 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
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5C49
 | | Crystal structure of GTB + UDP-C-Gal + H-antigen | | Descriptor: | Histo-blood group ABO system transferase, MANGANESE (II) ION, TRIETHYLENE GLYCOL, ... | | Authors: | Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V. | | Deposit date: | 2015-06-17 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
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