6ETP
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6Y4E
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![BU of 6y4e by Molmil](/molmil-images/mine/6y4e) | X-ray structure of the Zn-dependent receptor-binding domain of Proteus mirabilis MR/P fimbrial adhesin MrpH | Descriptor: | Fimbrial adhesin, L(+)-TARTARIC ACID, ZINC ION | Authors: | Knight, S.D, Ubhayasekera, W, Jiang, W. | Deposit date: | 2020-02-20 | Release date: | 2020-08-19 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | MrpH, a new class of metal-binding adhesin, requires zinc to mediate biofilm formation. Plos Pathog., 16, 2020
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6SDJ
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![BU of 6sdj by Molmil](/molmil-images/mine/6sdj) | Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol | Descriptor: | (2~{R})-1-azanylpropan-2-ol, (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-27 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6SAC
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![BU of 6sac by Molmil](/molmil-images/mine/6sac) | N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-16 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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8RNY
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![BU of 8rny by Molmil](/molmil-images/mine/8rny) | Hen Egg White Lysozyme soaked with with [H2Ind][trans-RuCl4(DMSO)(HInd)] | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | Deposit date: | 2024-01-11 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies. Front Chem, 12, 2024
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2NT4
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![BU of 2nt4 by Molmil](/molmil-images/mine/2nt4) | Receiver domain from Myxococcus xanthus social motility protein FrzS (H92F mutant) | Descriptor: | CHLORIDE ION, Response regulator homolog | Authors: | Echols, N, Fraser, J, Weisfield, S, Merlie, J, Zusman, D, Alber, T. | Deposit date: | 2006-11-06 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | An atypical receiver domain controls the dynamic polar localization of the Myxococcus xanthus social motility protein FrzS. Mol.Microbiol., 65, 2007
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4YSI
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![BU of 4ysi by Molmil](/molmil-images/mine/4ysi) | Structure of USP7 with a novel viral protein | Descriptor: | GLYCEROL, SER-PRO-GLY-GLU-GLY-PRO-SER-GLY, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Chavoshi, S, Saridakis, V. | Deposit date: | 2015-03-17 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Structure of USP7 with a novel viral protein J.Biol.Chem., 2016
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6YQM
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![BU of 6yqm by Molmil](/molmil-images/mine/6yqm) | Human histidine triad nucleotide-binding protein 1 (hHINT1) complexed with dGMP and refined to 1.02 A | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Histidine triad nucleotide-binding protein 1 | Authors: | Dolot, R.D, Seda, A, Nawrot, B.C. | Deposit date: | 2020-04-17 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A. Biochim Biophys Acta Gen Subj, 1865, 2021
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8QF4
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5QU3
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6ETO
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![BU of 6eto by Molmil](/molmil-images/mine/6eto) | Atomic resolution structure of RNase A (data collection 5) | Descriptor: | ISOPROPYL ALCOHOL, Ribonuclease pancreatic | Authors: | Caterino, M, Vergara, A, Merlino, A. | Deposit date: | 2017-10-27 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC. Chembiochem, 2018
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1CC8
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![BU of 1cc8 by Molmil](/molmil-images/mine/1cc8) | CRYSTAL STRUCTURE OF THE ATX1 METALLOCHAPERONE PROTEIN | Descriptor: | BENZAMIDINE, MERCURY (II) ION, PROTEIN (METALLOCHAPERONE ATX1) | Authors: | Rosenzweig, A.C, Huffman, D.L, Pufahl, M.Y.R.A, Hou, T.V.O, Wernimont, A.K. | Deposit date: | 1999-03-04 | Release date: | 1999-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Crystal structure of the Atx1 metallochaperone protein at 1.02 A resolution. Structure Fold.Des., 7, 1999
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7QLJ
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1S0Q
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3DVQ
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6HR3
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![BU of 6hr3 by Molmil](/molmil-images/mine/6hr3) | Human Carbonic Anhydrase II in complex with 4-Propylbenzenesulfonamide | Descriptor: | 4-propylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2018-09-26 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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1I27
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![BU of 1i27 by Molmil](/molmil-images/mine/1i27) | CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF THE RAP74 SUBUNIT OF HUMAN TRANSCRIPTION FACTOR IIF (TFIIF) | Descriptor: | TRANSCRIPTION FACTOR IIF, ZINC ION | Authors: | Kamada, K, De Angelis, J, Roeder, R.G, Burley, S.K. | Deposit date: | 2001-02-07 | Release date: | 2001-03-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Crystal structure of the C-terminal domain of the RAP74 subunit of human transcription factor IIF. Proc.Natl.Acad.Sci.USA, 98, 2001
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5RCD
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![BU of 5rcd by Molmil](/molmil-images/mine/5rcd) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H03a | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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8AZZ
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![BU of 8azz by Molmil](/molmil-images/mine/8azz) | KRAS-G12V in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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6JGU
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6N59
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![BU of 6n59 by Molmil](/molmil-images/mine/6n59) | 1.0 Angstrom crystal structure of [FeFe]-hydrogenase | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Zadvornyy, O.A, Keable, S.M, Artz, J.H, Peters, J.W. | Deposit date: | 2018-11-21 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases. J.Am.Chem.Soc., 142, 2020
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7LOD
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![BU of 7lod by Molmil](/molmil-images/mine/7lod) | T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene | Descriptor: | 1-fluoranyl-4-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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1S0R
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6QAZ
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![BU of 6qaz by Molmil](/molmil-images/mine/6qaz) | Crystal structure of gp41-1 intein | Descriptor: | CITRATE ANION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Mikula, K.M, Beyer, H.M, Li, M, Wlodawer, A, Iwai, H. | Deposit date: | 2018-12-20 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | The crystal structure of the naturally split gp41-1 intein guides the engineering of orthogonal split inteins from cis-splicing inteins. Febs J., 287, 2020
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6I03
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