6PL0
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![BU of 6pl0 by Molmil](/molmil-images/mine/6pl0) | Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP from Xanthomonas campestris in the Pr state bound to BV chromophore | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome | Authors: | Otero, L.H, Sirigu, S, Klinke, S, Goldbaum, F, Chavas, L, Rinaldi, J, Bonomi, H.R. | Deposit date: | 2019-06-30 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level. Sci Adv, 7, 2021
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4L9Q
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![BU of 4l9q by Molmil](/molmil-images/mine/4l9q) | X-ray study of human serum albumin complexed with teniposide | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside, SERUM ALBUMIN | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-18 | Release date: | 2013-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
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7W5L
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![BU of 7w5l by Molmil](/molmil-images/mine/7w5l) | The crystal structure of the oxidized form of Gluconobacter oxydans WSH-004 SNDH | Descriptor: | L-sorbosone dehydrogenase, NAD(P) dependent | Authors: | Li, D, Hou, X.D, Rao, Y.J, Zhou, J.W, Chen, J. | Deposit date: | 2021-11-30 | Release date: | 2023-01-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase. Adv Sci, 10, 2023
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6POG
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![BU of 6pog by Molmil](/molmil-images/mine/6pog) | Crystal structure of the NELL2 EGF1-6-Robo3 FN1 complex | Descriptor: | 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, CALCIUM ION, ... | Authors: | Wang, J, Pak, J.S, Ozkan, E. | Deposit date: | 2019-07-03 | Release date: | 2020-05-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.755 Å) | Cite: | NELL2-Robo3 complex structure reveals mechanisms of receptor activation for axon guidance. Nat Commun, 11, 2020
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6PPS
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![BU of 6pps by Molmil](/molmil-images/mine/6pps) | A blue light illuminated LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (construct 15-273) | Descriptor: | Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE | Authors: | Rinaldi, J, Fernandez, I, Shin, H, Gunawardana, S, Otero, L.H, Cerutti, M.L, Yang, X, Klinke, S, Goldbaum, F.A. | Deposit date: | 2019-07-08 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase. Mbio, 12, 2021
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2BJX
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![BU of 2bjx by Molmil](/molmil-images/mine/2bjx) | PROTEIN DISULFIDE ISOMERASE | Descriptor: | PROTEIN (PROTEIN DISULFIDE ISOMERASE) | Authors: | Kemmink, J, Dijkstra, K, Mariani, M, Scheek, R.M, Penka, E, Nilges, M, Darby, N.J. | Deposit date: | 1999-01-30 | Release date: | 1999-02-09 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The structure in solution of the b domain of protein disulfide isomerase. J.Biomol.NMR, 13, 1999
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6PPI
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![BU of 6ppi by Molmil](/molmil-images/mine/6ppi) | Kaposi's sarcoma-associated herpesvirus (KSHV), C12 portal dodecamer structure | Descriptor: | Portal protein | Authors: | Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H. | Deposit date: | 2019-07-07 | Release date: | 2019-09-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV. Cell, 178, 2019
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4XYK
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![BU of 4xyk by Molmil](/molmil-images/mine/4xyk) | Crystal structure of human phosphofructokinase-1 in complex with ADP, Northeast Structural Genomics Consortium Target HR9275 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent 6-phosphofructokinase, platelet type, ... | Authors: | Forouhar, F, Webb, B.A, Szu, F.-E, Seetharaman, J, Barber, D.L, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-02-02 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structures of human phosphofructokinase-1 and atomic basis of cancer-associated mutations. Nature, 523, 2015
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6PPF
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![BU of 6ppf by Molmil](/molmil-images/mine/6ppf) | Bacterial 45SRbgA ribosomal particle class B | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Ortega, J, Seffouh, A, Jain, N, Jahagirdar, D, Basu, K, Razi, A, Ni, X, Guarne, A, Britton, R.A. | Deposit date: | 2019-07-06 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural consequences of the interaction of RbgA with a 50S ribosomal subunit assembly intermediate. Nucleic Acids Res., 47, 2019
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8P0F
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![BU of 8p0f by Molmil](/molmil-images/mine/8p0f) | Crystal structure of the VCB complex with compound 1. | Descriptor: | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide, CHLORIDE ION, Elongin-B, ... | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2023-05-10 | Release date: | 2023-05-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders Chemrxiv, 2023
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4XQS
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7WRH
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![BU of 7wrh by Molmil](/molmil-images/mine/7wrh) | Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Han, P, Xie, Y, Qi, J. | Deposit date: | 2022-01-26 | Release date: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s. Cell Discov, 8, 2022
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4LN1
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![BU of 4ln1 by Molmil](/molmil-images/mine/4ln1) | CRYSTAL STRUCTURE OF L-lactate dehydrogenase from Bacillus cereus ATCC 14579 complexed with calcium, NYSGRC Target 029452 | Descriptor: | CALCIUM ION, L-lactate dehydrogenase 1 | Authors: | Malashkevich, V.N, Bonanno, J.B, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-07-11 | Release date: | 2013-07-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of L-lactate dehydrogenase from Bacillus cereus ATCC 14579 complexed with calcium, NYSGRC Target 029452 To be Published
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7W5N
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![BU of 7w5n by Molmil](/molmil-images/mine/7w5n) | The crystal structure of the reduced form of Gluconobacter oxydans WSH-004 SNDH | Descriptor: | L-sorbosone dehydrogenase, NAD(P) dependent, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, D, Hou, X.D, Rao, Y.J, Yin, D.J, Zhou, J.W, Chen, J. | Deposit date: | 2021-11-30 | Release date: | 2023-03-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.988 Å) | Cite: | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase. Adv Sci, 10, 2023
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6C1V
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![BU of 6c1v by Molmil](/molmil-images/mine/6c1v) | MBD2 in complex with double-stranded DNA | Descriptor: | 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | Authors: | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-01-05 | Release date: | 2018-02-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA. J. Biol. Chem., 293, 2018
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6PPD
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![BU of 6ppd by Molmil](/molmil-images/mine/6ppd) | Kaposi's sarcoma-associated herpesvirus (KSHV), C1 penton vertex register, CATC-absent structure | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | Authors: | Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H. | Deposit date: | 2019-07-06 | Release date: | 2019-09-11 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV. Cell, 178, 2019
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4Y1D
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4Y2M
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![BU of 4y2m by Molmil](/molmil-images/mine/4y2m) | apo-GolB protein | Descriptor: | GOLD ION, Putative metal-binding transport protein | Authors: | Wei, W, Zhao, J, Wang, F. | Deposit date: | 2015-02-10 | Release date: | 2016-02-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB J.Am.Chem.Soc., 137, 2015
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6C57
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![BU of 6c57 by Molmil](/molmil-images/mine/6c57) | Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in complex with bisphosphonate inhibitor FV0109 | Descriptor: | Geranylgeranyl pyrophosphate synthase, {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) | Authors: | Park, J, Bin, X, Vincent, F, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2018-01-15 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (GGPPS) Inhibitors. J. Med. Chem., 61, 2018
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7UP4
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![BU of 7up4 by Molmil](/molmil-images/mine/7up4) | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 20 (co-crystal) | Descriptor: | (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5 | Authors: | Yano, J.K, Abendroth, J, Hall, A. | Deposit date: | 2022-04-14 | Release date: | 2022-07-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
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7UP6
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![BU of 7up6 by Molmil](/molmil-images/mine/7up6) | Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal) | Descriptor: | (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5 | Authors: | Yano, J.K, Abendroth, J, Hall, A. | Deposit date: | 2022-04-14 | Release date: | 2022-08-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
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4Y3K
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![BU of 4y3k by Molmil](/molmil-images/mine/4y3k) | Structure of Vaspin mutant E379S | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 | Authors: | Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. | Deposit date: | 2015-02-10 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). Biochem.J., 470, 2015
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7UP8
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6Q1Q
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6BQS
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![BU of 6bqs by Molmil](/molmil-images/mine/6bqs) | HusA haemophore from Porphyromonas gingivalis | Descriptor: | hypothetical protein PG_2227 | Authors: | Gell, D.A, Kwan, A.H, Horne, J, Hugrass, B.M, Collins, D.A.T. | Deposit date: | 2017-11-28 | Release date: | 2018-10-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis. Nat Commun, 9, 2018
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