6DJA
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![BU of 6dja by Molmil](/molmil-images/mine/6dja) | ZN-DEPENDENT 5/B/6 METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS | Descriptor: | Metallo-beta-lactamase type 2, ZINC ION | Authors: | Bui, A.A, Khan, N.H, Shaw, R.W, Sutton, R.B. | Deposit date: | 2018-05-24 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | A DNA aptamer reveals an allosteric site for inhibition in metallo-beta-lactamases. Plos One, 14, 2019
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1I41
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![BU of 1i41 by Molmil](/molmil-images/mine/1i41) | CYSTATHIONINE GAMMA-SYNTHASE IN COMPLEX WITH THE INHIBITOR APPA | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-IMINO]-5-PHOSPHONO-PENT-3-ENOIC ACID, CYSTATHIONINE GAMMA-SYNTHASE | Authors: | Steegborn, C, Laber, B, Messerschmidt, A, Huber, R, Clausen, T. | Deposit date: | 2001-02-19 | Release date: | 2001-09-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of cystathionine gamma-synthase inhibitor complexes rationalize the increased affinity of a novel inhibitor. J.Mol.Biol., 311, 2001
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2XIT
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![BU of 2xit by Molmil](/molmil-images/mine/2xit) | Crystal structure of monomeric MipZ | Descriptor: | MIPZ | Authors: | Kiekebusch, D, Michie, K.A, Essen, L.O, Lowe, J, Thanbichler, M. | Deposit date: | 2010-06-30 | Release date: | 2011-07-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Localized Dimerization and Nucleoid Binding Drive Gradient Formation by the Bacterial Cell Division Inhibitor Mipz. Mol.Cell, 46, 2012
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6DDX
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![BU of 6ddx by Molmil](/molmil-images/mine/6ddx) | Crystal structure of the double mutant (D52N/L375F) of NT5C2-537X in the active state, Northeast Structural Genomics Target | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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1I8Z
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![BU of 1i8z by Molmil](/molmil-images/mine/1i8z) | CARBONIC ANHYDRASE II COMPLEXED WITH AL-6629 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-METHOXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE | Descriptor: | 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chang, J.S, Liao, J, May, J.A, Christianson, D.W. | Deposit date: | 2001-03-16 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV. J.Med.Chem., 45, 2002
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1I91
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![BU of 1i91 by Molmil](/molmil-images/mine/1i91) | CARBONIC ANHYDRASE II COMPLEXED WITH AL-6619 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-HYDROXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE | Descriptor: | 6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chang, J.S, Liao, J, May, J.A, Christianson, D.W. | Deposit date: | 2001-03-16 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV. J.Med.Chem., 45, 2002
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4UUI
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![BU of 4uui by Molmil](/molmil-images/mine/4uui) | |
4V0P
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![BU of 4v0p by Molmil](/molmil-images/mine/4v0p) | Crystal structure of the MAGE homology domain of human MAGE-A3 | Descriptor: | MELANOMA-ASSOCIATED ANTIGEN 3 | Authors: | Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2014-09-17 | Release date: | 2014-10-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding. Plos One, 11, 2016
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8SNZ
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![BU of 8snz by Molmil](/molmil-images/mine/8snz) | X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin | Authors: | Ansari, A, Khan, S.A, Miller, A.F. | Deposit date: | 2023-04-28 | Release date: | 2024-03-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure, dynamics, and redox reactivity of an all-purpose flavodoxin. J.Biol.Chem., 300, 2024
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4V06
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![BU of 4v06 by Molmil](/molmil-images/mine/4v06) | Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain | Descriptor: | FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2 | Authors: | Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-09-11 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain To be Published
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7RYX
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![BU of 7ryx by Molmil](/molmil-images/mine/7ryx) | S. CEREVISIAE CYP51 COMPLEXED WITH VT-1129 | Descriptor: | (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ruma, Y.N, Sagatova, A, Keniya, M.V, Tyndall, J.D, Monk, B.C. | Deposit date: | 2021-08-26 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterisation of Candida parapsilosis CYP51 as a Drug Target Using Saccharomyces cerevisiae as Host. J Fungi, 8, 2022
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2GG5
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![BU of 2gg5 by Molmil](/molmil-images/mine/2gg5) | Novel bacterial methionine aminopeptidase inhibitors | Descriptor: | 5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE, COBALT (II) ION, Methionine aminopeptidase, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-03-23 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors. Proteins, 66, 2007
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1I36
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![BU of 1i36 by Molmil](/molmil-images/mine/1i36) | Structure of Conserved Protein MTH1747 of Unknown Function Reveals Structural Similarity with 3-Hydroxyacid Dehydrogenases | Descriptor: | CONSERVED HYPOTHETICAL PROTEIN MTH1747, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Korolev, S.V, Dementieva, I.S, Christendat, D, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2001-02-13 | Release date: | 2002-05-15 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | STRUCTURAL SIMILARITIES OF MTH1747 HYPOTHETICAL PROTEIN FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH 3-HYDROXYACID DEHYDROGENASES to be published
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7S66
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![BU of 7s66 by Molmil](/molmil-images/mine/7s66) | Extended conformation of nighttime state KaiC | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION | Authors: | Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C. | Deposit date: | 2021-09-13 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Coupling of distant ATPase domains in the circadian clock protein KaiC. Nat.Struct.Mol.Biol., 29, 2022
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4UU4
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![BU of 4uu4 by Molmil](/molmil-images/mine/4uu4) | Crystal structure of LptH, the LptA homologous periplasmic component of the conserved lipopolysaccharide transport device from Pseudomonas aeruginosa | Descriptor: | PERIPLASMIC LIPOPOLYSACCHARIDE TRANSPORT PROTEIN LPTH | Authors: | Bollati, M, Villa, R, Gourlay, L.J, Barbiroli, A, Deho, G, Benedet, M, Polissi, A, Martorana, A, Sperandeo, P, Bolognesi, M, Nardini, M. | Deposit date: | 2014-07-24 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.751 Å) | Cite: | Crystal Structure of Lpth, the Periplasmic Component of the Lipopolysaccharide Transport Machinery from Pseudomonas Aeruginosa. FEBS J., 282, 2015
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4UV6
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2GG9
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![BU of 2gg9 by Molmil](/molmil-images/mine/2gg9) | Novel bacterial methionine aminopeptidase inhibitors | Descriptor: | COBALT (II) ION, METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE, Methionine aminopeptidase, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-03-23 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors. Proteins, 66, 2007
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4FIR
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![BU of 4fir by Molmil](/molmil-images/mine/4fir) | Crystal structure of pyridoxal biosynthesis lyase PdxS from Pyrococcus | Descriptor: | Pyridoxal biosynthesis lyase pdxS, RIBOSE-5-PHOSPHATE | Authors: | Matsuura, A, Yoon, J.Y, Yoon, H.J, Lee, H.H, Suh, S.W. | Deposit date: | 2012-06-11 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of pyridoxal biosynthesis lyase PdxS from Pyrococcus horikoshii. Mol.Cells, 34, 2012
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5DSU
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![BU of 5dsu by Molmil](/molmil-images/mine/5dsu) | Crystal structure of double mutant of N-domain of human calmodulin | Descriptor: | CALCIUM ION, Calmodulin, TRIETHYLENE GLYCOL | Authors: | Ababou, A, Zaleska, M. | Deposit date: | 2015-09-17 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | On the Ca(2+) binding and conformational change in EF-hand domains: Experimental evidence of Ca(2+)-saturated intermediates of N-domain of calmodulin. Biochim. Biophys. Acta, 1865, 2017
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4FK1
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![BU of 4fk1 by Molmil](/molmil-images/mine/4fk1) | Crystal Structure of Putative Thioredoxin Reductase TrxB from Bacillus anthracis | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Maltseva, N, Kim, Y, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-06-12 | Release date: | 2012-08-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.404 Å) | Cite: | Crystal Structure of Putative Thioredoxin Reductase TrxB from Bacillus anthracis To be Published
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4UUC
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![BU of 4uuc by Molmil](/molmil-images/mine/4uuc) | Crystal structure of human ASB11 ankyrin repeat domain | Descriptor: | ANKYRIN REPEAT AND SOCS BOX PROTEIN 11 | Authors: | Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A. | Deposit date: | 2014-07-25 | Release date: | 2014-08-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Human Asb11 Ankyrin Repeat Domain To be Published
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7RXD
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![BU of 7rxd by Molmil](/molmil-images/mine/7rxd) | CryoEM structure of RBD domain of COVID-19 in complex with Legobody | Descriptor: | Fab_8D3_2 heavy chain, Fab_8D3_2 light chain, Maltodextrin-binding protein,Immunoglobulin G-binding protein A,Immunoglobulin G-binding protein G, ... | Authors: | Wu, X.D, Rapoport, T.A. | Deposit date: | 2021-08-22 | Release date: | 2021-10-06 | Last modified: | 2021-10-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure determination of small proteins by nanobody-binding scaffolds (Legobodies). Proc.Natl.Acad.Sci.USA, 118, 2021
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2FY3
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![BU of 2fy3 by Molmil](/molmil-images/mine/2fy3) | |
4V3K
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![BU of 4v3k by Molmil](/molmil-images/mine/4v3k) | RNF38-UbcH5B-UB complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF38, ... | Authors: | Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T. | Deposit date: | 2014-10-20 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin. Mol.Cell, 58, 2015
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7RXC
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![BU of 7rxc by Molmil](/molmil-images/mine/7rxc) | CryoEM structure of KDELR with Legobody | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ER lumen protein-retaining receptor 2, Fab_8D3_2 heavy chain, ... | Authors: | Wu, X.D, Rapoport, T.A. | Deposit date: | 2021-08-22 | Release date: | 2021-10-06 | Last modified: | 2021-10-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure determination of small proteins by nanobody-binding scaffolds (Legobodies). Proc.Natl.Acad.Sci.USA, 118, 2021
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