5LT2
 
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1DDU
 | | E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717 AND 2',5'-DIDEOXYURIDINE (DDURD) | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-5'DIDEOXYURIDINE, PHOSPHATE ION, ... | | Authors: | Stout, T.J, Sage, C.R, Stroud, R.M. | | Deposit date: | 1997-06-26 | | Release date: | 1998-07-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
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1MN0
 | | Crystal structure of galactose mutarotase from lactococcus lactis complexed with D-xylose | | Descriptor: | Aldose 1-epimerase, NICKEL (II) ION, alpha-D-xylopyranose | | Authors: | Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M. | | Deposit date: | 2002-09-04 | | Release date: | 2002-09-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis.
J.Biol.Chem., 277, 2002
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1DXY
 | | STRUCTURE OF D-2-HYDROXYISOCAPROATE DEHYDROGENASE | | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, D-2-HYDROXYISOCAPROATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Dengler, U, Niefind, K, Kiess, M, Schomburg, D. | | Deposit date: | 1996-08-13 | | Release date: | 1997-06-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of a ternary complex of D-2-hydroxyisocaproate dehydrogenase from Lactobacillus casei, NAD+ and 2-oxoisocaproate at 1.9 A resolution.
J.Mol.Biol., 267, 1997
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9GGX
 | | Human KRas4A (GMPPNP) in complex with compound 19 | | Descriptor: | (3E,15S)-17-(cis-4-aminocyclohexyl)-7-chloro-10,15,20-trihydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,17-triazatetracyclo[17.3.1.04,12.06,11]tricosa-1(22),3,6(11),7,9,19(23),20-heptaen-18-one, COBALT (II) ION, GTPase KRas, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2024-08-14 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Reversible Small Molecule Multivariant Ras Inhibitors Display Tunable Affinity for the Active and Inactive Forms of Ras.
J.Med.Chem., 68, 2025
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5LU5
 | | A quantum half-site enzyme | | Descriptor: | 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vivoli, M, Harmer, N.J, Pang, J. | | Deposit date: | 2016-09-08 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
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2PB1
 | | Exo-B-(1,3)-Glucanase from Candida Albicans in complex with unhydrolysed and covalently linked 2,4-dinitrophenyl-2-deoxy-2-fluoro-B-D-glucopyranoside at 1.9 A | | Descriptor: | 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, Hypothetical protein XOG1 | | Authors: | Cutfield, S.M, Cutfield, J.F, Davies, G.J, Sullivan, P.A. | | Deposit date: | 2007-03-28 | | Release date: | 2007-04-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exo-B-(1,3)-Glucanase from Candida Albicans in complex with unhydrolysed and covalently linked 2,4-dinitrophenyl-2-deoxy-2-fluoro-B-D-glucopyranoside at 1.9 A
To be Published
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1DDO
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5LUE
 | | Minor form of the recombinant cytotoxin-1 from N. oxiana | | Descriptor: | VC-1=CYTOTOXIN | | Authors: | Dubovskii, P.V, Dubinnyi, M.A, Shulepko, M.A, Lyukmanova, E.N, Dolgikh, D.A, Kirpichnikov, M.P, Efremov, R.G. | | Deposit date: | 2016-09-08 | | Release date: | 2017-09-20 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Structural and Dynamic "Portraits" of Recombinant and Native Cytotoxin I from Naja oxiana: How Close Are They?
Biochemistry, 56, 2017
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5LUT
 | | Structures of DHBN domain of Gallus gallus BLM helicase | | Descriptor: | BLM helicase, PHOSPHATE ION | | Authors: | Shi, J, Chen, W.-F, Zhang, B, Fan, S.-H, Ai, X, Liu, N.-N, Rety, S, Xi, X.-G. | | Deposit date: | 2016-09-09 | | Release date: | 2017-03-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | A helical bundle in the N-terminal domain of the BLM helicase mediates dimer and potentially hexamer formation.
J. Biol. Chem., 292, 2017
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1E2O
 | | CATALYTIC DOMAIN FROM DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE | | Descriptor: | DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE, SULFATE ION | | Authors: | Knapp, J.E, Mitchell, D.T, Yazdi, M.A, Ernst, S.R, Reed, L.J, Hackert, M.L. | | Deposit date: | 1998-05-26 | | Release date: | 1998-12-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the truncated cubic core component of the Escherichia coli 2-oxoglutarate dehydrogenase multienzyme complex.
J.Mol.Biol., 280, 1998
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5LVU
 | | XiaF (apo) from Streptomyces sp. | | Descriptor: | SULFATE ION, XiaF protein | | Authors: | Kugel, S, Baunach, M, Baer, P, Ishida-Ito, M, Sundaram, S, Xu, Z, Groll, M, Hertweck, C. | | Deposit date: | 2016-09-14 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification.
Nat Commun, 8, 2017
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1DFI
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9GGZ
 | | Human KRas4A (GMPPNP) in complex with compound 31 | | Descriptor: | (3Z)-18-(4-aminocyclohexyl)-7-chloro-10-hydroxy-2,2-dioxo-21-[[(3S)-pyrrolidin-3-yl]amino]-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one, COBALT (II) ION, GTPase KRas, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2024-08-14 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Reversible Small Molecule Multivariant Ras Inhibitors Display Tunable Affinity for the Active and Inactive Forms of Ras.
J.Med.Chem., 68, 2025
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9GH0
 | | Human KRas4A (GMPPNP) in complex with compound 32 | | Descriptor: | (3Z)-18-(4-aminocyclohexyl)-7-chloro-10-hydroxy-2,2-dioxo-21-piperazin-1-yl-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one, COBALT (II) ION, GTPase KRas, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2024-08-14 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Reversible Small Molecule Multivariant Ras Inhibitors Display Tunable Affinity for the Active and Inactive Forms of Ras.
J.Med.Chem., 68, 2025
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1DIC
 | | STRUCTURE OF 3,4-DICHLOROISOCOUMARIN-INHIBITED FACTOR D | | Descriptor: | 3,4-DICHLOROISOCOUMARIN, FACTOR D, OXYGEN ATOM | | Authors: | Cole, L.B, Kilpatrick, J.M, Chu, N, Babu, Y.S. | | Deposit date: | 1998-07-08 | | Release date: | 1999-07-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of 3,4-dichloroisocoumarin-inhibited factor D.
Acta Crystallogr.,Sect.D, 54, 1998
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5LW3
 | | Azotobacter vinelandii Mannuronan C-5 epimerase AlgE6 A-module | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Rothweiler, U. | | Deposit date: | 2016-09-15 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Azotobacter vinelandii Mannuronan C-5 epimerase AlgE6 A-module
To Be Published
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1DAK
 | | DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX REACTION INTERMEDIATE ADP AND MIXED ANHYDRIDE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DETHIOBIOTIN SYNTHETASE, MAGNESIUM ION, ... | | Authors: | Kaeck, H, Gibson, K.J, Lindqvist, Y, Schneider, G. | | Deposit date: | 1998-03-31 | | Release date: | 1999-04-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Snapshot of a phosphorylated substrate intermediate by kinetic crystallography.
Proc.Natl.Acad.Sci.USA, 95, 1998
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5LWN
 | | Crystal structure of JAK3 in complex with Compound 5 (FM409) | | Descriptor: | (2~{S})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide, (~{Z})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, ... | | Authors: | Chaikuad, A, Forster, M, Mukhopadhyay, S, Kupinska, K, Ellis, K, Mahajan, P, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-18 | | Release date: | 2016-10-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Cell Chem Biol, 23, 2016
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9GGU
 | | Human KRas4A (GDP) in complex with compound 9 | | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2024-08-14 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Reversible Small Molecule Multivariant Ras Inhibitors Display Tunable Affinity for the Active and Inactive Forms of Ras.
J.Med.Chem., 68, 2025
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1DAO
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5LZ0
 | | Llama nanobody PorM_01 | | Descriptor: | PorM nanobody | | Authors: | Duhoo, Y, Leone, P, Roussel, A. | | Deposit date: | 2016-09-29 | | Release date: | 2017-05-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5LXE
 | | F420-dependent glucose-6-phosphate dehydrogenase from Rhodococcus jostii RHA1 | | Descriptor: | F420-dependent glucose-6-phosphate dehydrogenase 1, GLYCEROL, SULFATE ION | | Authors: | Nguyen, Q.-T, Trinco, G, Binda, C, Mattevi, A, Fraaije, M.W. | | Deposit date: | 2016-09-20 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery and characterization of an F420-dependent glucose-6-phosphate dehydrogenase (Rh-FGD1) from Rhodococcus jostii RHA1.
Appl. Microbiol. Biotechnol., 101, 2017
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1DJY
 | | PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH INOSITOL-2,4,5-TRISPHOSPHATE | | Descriptor: | ACETATE ION, CALCIUM ION, D-MYO-INOSITOL-2,4,5-TRIPHOSPHATE, ... | | Authors: | Essen, L.-O, Perisic, O, Williams, R.L. | | Deposit date: | 1996-08-24 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural mapping of the catalytic mechanism for a mammalian phosphoinositide-specific phospholipase C.
Biochemistry, 36, 1997
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5LXQ
 | | Structure of PRL-1 in complex with the Bateman domain of CNNM2 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1, ... | | Authors: | GIMENEZ-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-ORBEA, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M, Martinez-Cruz, L.A. | | Deposit date: | 2016-09-22 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.335 Å) | | Cite: | Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2.
J. Biol. Chem., 292, 2017
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