2XTJ
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![BU of 2xtj by Molmil](/molmil-images/mine/2xtj) | The crystal structure of PCSK9 in complex with 1D05 Fab | Descriptor: | CALCIUM ION, FAB FROM A HUMAN MONOCLONAL ANTIBODY, 1D05, ... | Authors: | Di Marco, S, Volpari, C, Carfi, A. | Deposit date: | 2010-10-10 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Pcsk9-Binding Antibody that Structurally Mimics the Egf(A) Domain of Ldl-Receptor Reduces Ldl Cholesterol in Vivo. J.Lipid Res., 52, 2011
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8END
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8ENF
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![BU of 8enf by Molmil](/molmil-images/mine/8enf) | |
8ENB
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6XN9
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![BU of 6xn9 by Molmil](/molmil-images/mine/6xn9) | Solution NMR structure of recifin, a cysteine-rich tyrosyl-DNA Phosphodiesterase I modulatory peptide from the marine sponge Axinella sp. | Descriptor: | Recifin modulatory peptide | Authors: | Schroeder, C.I, Rosengren, K.J, O'Keefe, B.R. | Deposit date: | 2020-07-02 | Release date: | 2021-02-10 | Method: | SOLUTION NMR | Cite: | Recifin A, Initial Example of the Tyr-Lock Peptide Structural Family, Is a Selective Allosteric Inhibitor of Tyrosyl-DNA Phosphodiesterase I. J.Am.Chem.Soc., 142, 2020
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4H4C
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![BU of 4h4c by Molmil](/molmil-images/mine/4h4c) | IspH in complex with (E)-4-fluoro-3-methylbut-2-enyl diphosphate | Descriptor: | (2E)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M. | Deposit date: | 2012-09-17 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH. Angew.Chem.Int.Ed.Engl., 52, 2013
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4HKF
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![BU of 4hkf by Molmil](/molmil-images/mine/4hkf) | Crystal structure of Danio rerio MEC-17 catalytic domain in complex with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase, SULFATE ION | Authors: | Li, W, Zhong, C, Sun, B, Xu, S, Zhang, T, Ding, J. | Deposit date: | 2012-10-15 | Release date: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of the acetyltransferase activity of MEC-17 towards alpha- tubulin Cell Res., 22, 2012
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7BOK
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![BU of 7bok by Molmil](/molmil-images/mine/7bok) | Cryo-EM structure of the encapsulated DyP-type peroxidase from Mycobacterium smegmatis | Descriptor: | Dyp-type peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin. Proc.Natl.Acad.Sci.USA, 118, 2021
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7BOJ
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![BU of 7boj by Molmil](/molmil-images/mine/7boj) | Cryo-EM structure of the encapsulin shell from Mycobacterium smegmatis | Descriptor: | 29 kDa antigen Cfp29 | Authors: | Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin. Proc.Natl.Acad.Sci.USA, 118, 2021
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8GOU
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![BU of 8gou by Molmil](/molmil-images/mine/8gou) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-25 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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4H4E
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![BU of 4h4e by Molmil](/molmil-images/mine/4h4e) | IspH in complex with (E)-4-mercapto-3-methylbut-2-enyl diphosphate | Descriptor: | (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M. | Deposit date: | 2012-09-17 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH. Angew.Chem.Int.Ed.Engl., 52, 2013
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5ZJK
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![BU of 5zjk by Molmil](/molmil-images/mine/5zjk) | Structure of myroilysin | Descriptor: | Myroilysin, PHOSPHATE ION, ZINC ION | Authors: | Li, W.D, Ran, T.T, Xu, D.Q, Wang, W.W. | Deposit date: | 2018-03-20 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of mature myroilysin and implication for its activation mechanism. Int.J.Biol.Macromol., 2019
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4H4D
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![BU of 4h4d by Molmil](/molmil-images/mine/4h4d) | IspH in complex with (E)-4-amino-3-methylbut-2-enyl diphosphate | Descriptor: | (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M. | Deposit date: | 2012-09-17 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH. Angew.Chem.Int.Ed.Engl., 52, 2013
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8XRU
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![BU of 8xru by Molmil](/molmil-images/mine/8xru) | The crystal structure of a GH3 enzyme CcBgl3B with glycerol | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B, GLYCEROL | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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6RLN
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![BU of 6rln by Molmil](/molmil-images/mine/6rln) | Crystal structure of RIP1 kinase in complex with GSK3145095 | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide | Authors: | Thorpe, J.H, Harris, P.A. | Deposit date: | 2019-05-02 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer. Acs Med.Chem.Lett., 10, 2019
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8PQ7
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7N1R
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![BU of 7n1r by Molmil](/molmil-images/mine/7n1r) | A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ... | Authors: | Yang, J, Musayev, F, Liu, Q. | Deposit date: | 2021-05-28 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP). Protein Sci., 31, 2022
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8DHH
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![BU of 8dhh by Molmil](/molmil-images/mine/8dhh) | DHODH IN COMPLEX WITH LIGAND 29 | Descriptor: | (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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8DHG
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![BU of 8dhg by Molmil](/molmil-images/mine/8dhg) | DHODH IN COMPLEX WITH LIGAND 19 | Descriptor: | (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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8DHF
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![BU of 8dhf by Molmil](/molmil-images/mine/8dhf) | DHODH IN COMPLEX WITH LIGAND 11 | Descriptor: | (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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2PJT
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![BU of 2pjt by Molmil](/molmil-images/mine/2pjt) | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344 | Descriptor: | CALCIUM ION, Collagenase 3, TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE, ... | Authors: | Xu, Z, Huang, A, Lovering, F, Levin, J.I, Mosyak, L. | Deposit date: | 2007-04-16 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket. Bioorg.Med.Chem., 15, 2007
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6M1J
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![BU of 6m1j by Molmil](/molmil-images/mine/6m1j) | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | Descriptor: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2020-02-26 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV. J.Med.Chem., 63, 2020
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6M1S
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![BU of 6m1s by Molmil](/molmil-images/mine/6m1s) | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | Descriptor: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2020-02-26 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV. J.Med.Chem., 63, 2020
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8EDF
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8ECZ
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![BU of 8ecz by Molmil](/molmil-images/mine/8ecz) | Bovine Fab 4C1 | Descriptor: | 4C1 Fab heavy chain, 4C1 Fab light chain, PHOSPHATE ION | Authors: | Stanfield, R.L, Wilson, I.A. | Deposit date: | 2022-09-02 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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