8EG6
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![BU of 8eg6 by Molmil](/molmil-images/mine/8eg6) | huCaspase-6 in complex with inhibitor 2a | Descriptor: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | Deposit date: | 2022-09-11 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
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8QD3
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![BU of 8qd3 by Molmil](/molmil-images/mine/8qd3) | Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene | Descriptor: | 1,2-ETHANEDIOL, FLAVIOLIN, Pigment biosynthesis protein yellowish-green 1, ... | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8EG5
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![BU of 8eg5 by Molmil](/molmil-images/mine/8eg5) | huCaspase-6 in complex with inhibitor 3a | Descriptor: | (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | Deposit date: | 2022-09-11 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
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8QD7
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![BU of 8qd7 by Molmil](/molmil-images/mine/8qd7) | Wdyg1p from W. dermatitidis catalyzes polyketide shortening in the biosynthesis of DHN-melanin | Descriptor: | Yellowish-green 1-like protein | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QBI
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![BU of 8qbi by Molmil](/molmil-images/mine/8qbi) | AntI in closed state | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ... | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-24 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QD4
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![BU of 8qd4 by Molmil](/molmil-images/mine/8qd4) | Ayg1p active site converted to tetrahedral sulfonate ester | Descriptor: | Pigment biosynthesis protein yellowish-green 1, phenylmethanesulfonic acid | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QD8
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![BU of 8qd8 by Molmil](/molmil-images/mine/8qd8) | Wdyg1p in complex with 1,3-Dihydroxynaphthalene | Descriptor: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3-diol | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QDA
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![BU of 8qda by Molmil](/molmil-images/mine/8qda) | Wdyg1p Ser256DHA (PMSF) | Descriptor: | 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, Yellowish-green 1-like protein | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QD1
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![BU of 8qd1 by Molmil](/molmil-images/mine/8qd1) | Ayg1p from A. fumigatus catalyzes polyketide shortening in the biosynthesis of DHN-melanin | Descriptor: | Pigment biosynthesis protein yellowish-green 1 | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QD5
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![BU of 8qd5 by Molmil](/molmil-images/mine/8qd5) | AntI Ser245DHA (PSF) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ... | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QD9
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![BU of 8qd9 by Molmil](/molmil-images/mine/8qd9) | Wdyg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene | Descriptor: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3,6,8-tetrol | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QD6
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![BU of 8qd6 by Molmil](/molmil-images/mine/8qd6) | AntI Ser245DHA (PMSF) | Descriptor: | ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, SODIUM ION, ... | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QDB
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![BU of 8qdb by Molmil](/molmil-images/mine/8qdb) | Wdyg1p Ser256DHA (PSF) | Descriptor: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QBH
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![BU of 8qbh by Molmil](/molmil-images/mine/8qbh) | AntI in complex with 1-Naphthol | Descriptor: | 1-NAPHTHOL, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17 | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-24 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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5ISZ
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![BU of 5isz by Molmil](/molmil-images/mine/5isz) | Crystal structure of LS01-TCR/M1-HLA-A*02 complex | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Stern, L.J, Selin, L.K, Song, I. | Deposit date: | 2016-03-15 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Broad TCR repertoire and diverse structural solutions for recognition of an immunodominant CD8(+) T cell epitope. Nat. Struct. Mol. Biol., 24, 2017
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5J3H
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![BU of 5j3h by Molmil](/molmil-images/mine/5j3h) | Human insulin receptor domains L1-CR in complex with peptide S519C16 and 83-7 Fv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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: | Lawrence, M, Menting, J, Lawrence, C. | Deposit date: | 2016-03-30 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Insulin Mimetic Peptide Disrupts the Primary Binding Site of the Insulin Receptor. J.Biol.Chem., 291, 2016
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6QPW
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![BU of 6qpw by Molmil](/molmil-images/mine/6qpw) | Structural basis of cohesin ring opening | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Sister chromatid cohesion protein 1, ... | Authors: | Panne, D, Muir, K.W, Li, Y, Weis, F. | Deposit date: | 2019-02-15 | Release date: | 2020-02-05 | Last modified: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The structure of the cohesin ATPase elucidates the mechanism of SMC-kleisin ring opening. Nat.Struct.Mol.Biol., 27, 2020
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7R8P
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![BU of 7r8p by Molmil](/molmil-images/mine/7r8p) | |
7R8Q
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![BU of 7r8q by Molmil](/molmil-images/mine/7r8q) | Closed form of SAOUHSC_02373 in complex with ADP, citrate, Mg2+ and Na+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CITRIC ACID, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2021-06-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism. J.Biol.Chem., 298, 2022
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6QYG
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![BU of 6qyg by Molmil](/molmil-images/mine/6qyg) | |
6QYF
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![BU of 6qyf by Molmil](/molmil-images/mine/6qyf) | |
5KOV
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![BU of 5kov by Molmil](/molmil-images/mine/5kov) | |
8F91
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![BU of 8f91 by Molmil](/molmil-images/mine/8f91) | |
1CE5
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![BU of 1ce5 by Molmil](/molmil-images/mine/1ce5) | BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZAMIDINE | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Ota, N, Stroupe, C, Ferreira-Da-Silva, J.M.S, Shah, S.S, Mares-Guia, M, Brunger, A.T. | Deposit date: | 1999-03-16 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine. Proteins, 37, 1999
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8U1E
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![BU of 8u1e by Molmil](/molmil-images/mine/8u1e) | |