4C2R
| Crystal structure of human testis angiotensin-I converting enzyme mutant R522Q | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, ... | Authors: | Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2013-08-19 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace) J.Biol.Chem., 289, 2014
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2P5E
| Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC Reveal Native Diagonal Binding Geometry | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, Cancer/testis antigen 1B, ... | Authors: | Sami, M, Rizkallah, P.J, Dunn, S, Li, Y, Moysey, R, Vuidepot, A, Baston, E, Todorov, P, Molloy, P, Gao, F, Boulter, J.M, Jakobsen, B.K. | Deposit date: | 2007-03-15 | Release date: | 2007-09-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structures of high affinity human T-cell receptors bound to peptide major
histocompatibility complex reveal native diagonal binding geometry Protein Eng.Des.Sel., 20, 2007
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6HFZ
| Crystal structure of a two-domain esterase (CEX) active on acetylated mannans | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, GDSL-like protein | Authors: | Michalak, L, La Rosa, S.L, Rohr, A.K, Aachmann, F.L, Westereng, B. | Deposit date: | 2018-08-22 | Release date: | 2019-09-11 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A pair of esterases from a commensal gut bacterium remove acetylations from all positions on complex beta-mannans. Proc.Natl.Acad.Sci.USA, 117, 2020
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6HH9
| Crystal structure of a two-domain esterase (CEX) active on acetylated mannans co-crystallized with mannopentaose | Descriptor: | GDSL-like protein, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Michalak, L, La Rosa, S.L, Rohr, A.K, Aachmann, F.L, Westereng, B. | Deposit date: | 2018-08-27 | Release date: | 2019-09-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A pair of esterases from a commensal gut bacterium remove acetylations from all positions on complex beta-mannans. Proc.Natl.Acad.Sci.USA, 117, 2020
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4DBW
| Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid | Authors: | Chen, M, Christianson, D.W, Marnett, L.J, Penning, T.M. | Deposit date: | 2012-01-16 | Release date: | 2013-03-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer. J.Med.Chem., 56, 2013
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6LJL
| Crystal Structure of exoHep-Y390A/H555A complexed with a tetrasaccharide substrate | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein | Authors: | Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z. | Deposit date: | 2019-12-17 | Release date: | 2020-12-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of exolytic heparinases and their catalytic mechanism and potential application. Nat Commun, 12, 2021
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6RPA
| Crystal structure of the T-cell receptor NYE_S2 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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6RPB
| Crystal structure of the T-cell receptor NYE_S1 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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3RP2
| THE STRUCTURE OF RAT MAST CELL PROTEASE II AT 1.9-ANGSTROMS RESOLUTION | Descriptor: | RAT MAST CELL PROTEASE II | Authors: | Reynolds, R, Remington, S, Weaver, L, Fischer, R, Anderson, W, Ammon, H, Matthews, B. | Deposit date: | 1984-09-10 | Release date: | 1984-10-29 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of rat mast cell protease II at 1.9-A resolution. Biochemistry, 27, 1988
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4C2Q
| Crystal structure of human testis angiotensin-I converting enzyme mutant R522K | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, ... | Authors: | Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2013-08-19 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace) J.Biol.Chem., 289, 2014
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4C2N
| Crystal structure of human testis angiotensin-I converting enzyme mutant E403R | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ... | Authors: | Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2013-08-19 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace) J.Biol.Chem., 289, 2014
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4C2O
| Crystal structure of human testis angiotensin-I converting enzyme mutant D465T | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | Authors: | Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2013-08-19 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace) J.Biol.Chem., 289, 2014
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2PYE
| Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC RevealNative Diagonal Binding Geometry TCR Clone C5C1 Complexed with MHC | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Beta-2-microglobulin, Cancer/testis antigen 1B, ... | Authors: | Sami, M, Rizkallah, P.J, Dunn, S, Li, Y, Moysey, R, Vuidepot, A, Baston, E, Todorov, P, Molloy, P, Gao, F, Boulter, J.M, Jakobsen, B.K. | Deposit date: | 2007-05-16 | Release date: | 2007-09-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of high affinity human T-cell receptors bound to peptide major
histocompatibility complex reveal native diagonal binding geometry Protein Eng.Des.Sel., 20, 2007
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1BI9
| RETINAL DEHYDROGENASE TYPE TWO WITH NAD BOUND | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, RETINAL DEHYDROGENASE TYPE II | Authors: | Newcomer, M.E, Lamb, A.L. | Deposit date: | 1998-06-23 | Release date: | 1999-07-22 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The structure of retinal dehydrogenase type II at 2.7 A resolution: implications for retinal specificity. Biochemistry, 38, 1999
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6B3P
| Crystal structure of CBMbc (family CBM26) from Eubacterium rectale Amy13K in Complex with Maltoheptaose | Descriptor: | 1,2-ETHANEDIOL, Amy13K, FORMIC ACID, ... | Authors: | Cockburn, D.W, Wawrzak, Z, Perez Medina, K, Koropatkin, N.M. | Deposit date: | 2017-09-22 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Novel carbohydrate binding modules in the surface anchored alpha-amylase of Eubacterium rectale provide a molecular rationale for the range of starches used by this organism in the human gut. Mol. Microbiol., 107, 2018
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6AZ5
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6F9U
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6F9T
| Crystal structure of human testis Angiotensin-1 converting enzyme in complex with Sampatrilat. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cozier, G.E, Acharya, K.R. | Deposit date: | 2017-12-15 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity. FEBS J., 285, 2018
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1FRT
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5DO7
| Crystal Structure of the Human Sterol Transporter ABCG5/ABCG8 | Descriptor: | ATP-binding cassette sub-family G member 5, ATP-binding cassette sub-family G member 8 | Authors: | Lee, J.-Y, Kinch, L.N, Borek, D.M, Urbatsch, I.L, Xie, X.-S, Grishin, N.V, Cohen, J.C, Otwinowski, Z, Hobbs, H.H, Rosenbaum, D.M. | Deposit date: | 2015-09-10 | Release date: | 2016-05-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.93 Å) | Cite: | Crystal structure of the human sterol transporter ABCG5/ABCG8. Nature, 533, 2016
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1IRC
| CYSTEINE RICH INTESTINAL PROTEIN | Descriptor: | IMIDAZOLE, MYOGLOBIN (METAQUO), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Barrick, D.E, Feese, M. | Deposit date: | 1995-12-19 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Replacement of the proximal ligand of sperm whale myoglobin with free imidazole in the mutant His-93-->Gly. Biochemistry, 33, 1994
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1KRM
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1QX2
| X-ray Structure of Calcium-loaded Calbindomodulin (A Calbindin D9k Re-engineered to Undergo a Conformational Opening) at 1.44 A Resolution | Descriptor: | CALCIUM ION, Vitamin D-dependent calcium-binding protein, intestinal, ... | Authors: | Bunick, C.G, Nelson, M.R, Mangahas, S, Mizoue, L.S, Bunick, G.J, Chazin, W.J. | Deposit date: | 2003-09-04 | Release date: | 2004-05-25 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Designing Sequence to Control Protein Function in an EF-Hand Protein J.Am.Chem.Soc., 126, 2004
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1RT0
| 12-mer from site II calbindin D9K (DKNGDGEVSFEE) coordinating Zn(II) | Descriptor: | Vitamin D-dependent calcium-binding protein, intestinal | Authors: | Ferrari, R, Mendoza, G, James, T, Tonelli, M, Basus, V, Gasque, L. | Deposit date: | 2003-12-10 | Release date: | 2005-07-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Coordination Compounds derived from a dodecapeptide and Pb2+, Cd2+ and Zn2+. Modeling the site II from the Calbindin D9K To be Published
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1NAV
| Thyroid Receptor Alpha in complex with an agonist selective for Thyroid Receptor Beta1 | Descriptor: | SULFATE ION, hormone receptor alpha 1, THRA1, ... | Authors: | Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J. | Deposit date: | 2002-11-29 | Release date: | 2003-06-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1. J.Med.Chem., 46, 2003
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