8GPC
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![BU of 8gpc by Molmil](/molmil-images/mine/8gpc) | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, SODIUM ION, ... | Authors: | Shi, X, Dai, Y, Zhang, Q, Liu, W. | Deposit date: | 2022-08-26 | Release date: | 2023-08-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
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2O36
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2OHU
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![BU of 2ohu by Molmil](/molmil-images/mine/2ohu) | X-ray crystal structure of beta secretase complexed with compound 8b | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Patel, S. | Deposit date: | 2007-01-10 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. J.Med.Chem., 50, 2007
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2OHT
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![BU of 2oht by Molmil](/molmil-images/mine/2oht) | X-ray crystal structure of beta secretase complexed with compound 7 | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Patel, S. | Deposit date: | 2007-01-10 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. J.Med.Chem., 50, 2007
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6Q37
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![BU of 6q37 by Molmil](/molmil-images/mine/6q37) | Complex of Arginase 2 with Example 23 | Descriptor: | 1,2-ETHANEDIOL, 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, ... | Authors: | Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A. | Deposit date: | 2018-12-03 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.211 Å) | Cite: | Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II. J.Med.Chem., 62, 2019
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2OKJ
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![BU of 2okj by Molmil](/molmil-images/mine/2okj) | The X-ray crystal structure of the 67kDa isoform of Glutamic Acid Decarboxylase (GAD67) | Descriptor: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, GAMMA-AMINO-BUTANOIC ACID, Glutamate decarboxylase 1 | Authors: | Buckle, A.M, Fenalti, G, Law, R.H.P, Whisstock, J.C. | Deposit date: | 2007-01-17 | Release date: | 2007-03-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop. Nat.Struct.Mol.Biol., 14, 2007
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8U0J
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![BU of 8u0j by Molmil](/molmil-images/mine/8u0j) | DdmE in complex with guide and target DNA | Descriptor: | DNA (5'-D(P*AP*CP*TP*TP*AP*AP*AP*GP*TP*CP*TP*AP*AP*CP*CP*TP*AP*TP*AP*GP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*CP*TP*AP*TP*AP*GP*GP*A)-3'), DNA (5'-D(P*GP*TP*TP*AP*GP*AP*CP*TP*TP*TP*AP*AP*GP*T)-3'), ... | Authors: | Bravo, J.P.K. | Deposit date: | 2023-08-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Plasmid targeting and destruction by the DdmDE bacterial defence system. Nature, 630, 2024
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2OQD
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![BU of 2oqd by Molmil](/molmil-images/mine/2oqd) | Crystal Structure of BthTX-II | Descriptor: | Phospholipase A2 | Authors: | Correa, L.C, Marchi-Salvador, D.P, Cintra, A.C.O, Soares, A.M, Fontes, M.R.M. | Deposit date: | 2007-01-31 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure of a myotoxic Asp49-phospholipase A(2) with low catalytic activity: Insights into Ca(2+)-independent catalytic mechanism. Biochim.Biophys.Acta, 1784, 2008
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2O3E
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8U0W
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![BU of 8u0w by Molmil](/molmil-images/mine/8u0w) | DdmD monomer in complex with ssDNA | Descriptor: | DNA (5'-D(P*TP*TP*AP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Helicase/UvrB N-terminal domain-containing protein | Authors: | Bravo, J.P.K. | Deposit date: | 2023-08-29 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Plasmid targeting and destruction by the DdmDE bacterial defence system. Nature, 630, 2024
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8U0U
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![BU of 8u0u by Molmil](/molmil-images/mine/8u0u) | DdmD dimer in complex with ssDNA | Descriptor: | DNA (5'-D(P*TP*TP*AP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Helicase/UvrB N-terminal domain-containing protein | Authors: | Bravo, J.P.K. | Deposit date: | 2023-08-29 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Plasmid targeting and destruction by the DdmDE bacterial defence system. Nature, 630, 2024
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8G4Y
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![BU of 8g4y by Molmil](/molmil-images/mine/8g4y) | Structure of ZNRF3 ECD bound to peptide MK1-3.6.10 | Descriptor: | E3 ubiquitin-protein ligase ZNRF3, MK1-3.6.10 | Authors: | Harris, S.F, Wu, P. | Deposit date: | 2023-02-10 | Release date: | 2023-12-20 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Potent and selective binders of the E3 ubiquitin ligase ZNRF3 stimulate Wnt signaling and intestinal organoid growth. Cell Chem Biol, 31, 2024
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8U3K
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![BU of 8u3k by Molmil](/molmil-images/mine/8u3k) | DdmDE handover complex | Descriptor: | DNA (29-MER), DNA (5'-D(P*GP*GP*AP*AP*AP*TP*GP*TP*TP*GP*AP*AP*TP*AP*C)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ... | Authors: | Bravo, J.P.K. | Deposit date: | 2023-09-07 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Plasmid targeting and destruction by the DdmDE bacterial defence system. Nature, 630, 2024
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2OHS
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![BU of 2ohs by Molmil](/molmil-images/mine/2ohs) | X-ray crystal structure of beta secretase complexed with compound 6b | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Patel, S. | Deposit date: | 2007-01-10 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. J.Med.Chem., 50, 2007
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3SNP
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3HNA
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![BU of 3hna by Molmil](/molmil-images/mine/3hna) | Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and mono-Methylated H3K9 Peptide | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, Mono-Methylated H3K9 Peptide, ... | Authors: | Min, J, Wu, H, Loppnau, P, Wleigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-30 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural biology of human H3K9 methyltransferases Plos One, 5, 2010
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3OIA
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![BU of 3oia by Molmil](/molmil-images/mine/3oia) | Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio | Descriptor: | Camphor 5-monooxygenase, N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide, POTASSIUM ION, ... | Authors: | Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B. | Deposit date: | 2010-08-18 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio To be Published
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2OHQ
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![BU of 2ohq by Molmil](/molmil-images/mine/2ohq) | X-ray crystal structure of beta secretase complexed with compound 4 | Descriptor: | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Patel, S. | Deposit date: | 2007-01-10 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. J.Med.Chem., 50, 2007
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3P6X
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![BU of 3p6x by Molmil](/molmil-images/mine/3p6x) | Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-C8-Dans | Descriptor: | Camphor 5-monooxygenase, N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B. | Deposit date: | 2010-10-11 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-C8-Dans To be Published
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3P6U
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1R7G
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![BU of 1r7g by Molmil](/molmil-images/mine/1r7g) | NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure, Sample in 100mM DPC) | Descriptor: | Genome polyprotein | Authors: | Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D. | Deposit date: | 2003-10-21 | Release date: | 2004-08-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A. J.Biol.Chem., 279, 2004
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3P6V
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8W2F
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![BU of 8w2f by Molmil](/molmil-images/mine/8w2f) | Plasmodium falciparum 20S proteasome bound to an inhibitor | Descriptor: | (3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide, Proteasome endopeptidase complex, Proteasome subunit alpha type, ... | Authors: | Han, Y, Deng, X, Ray, S, Chen, Z, Phillips, M. | Deposit date: | 2024-02-20 | Release date: | 2024-07-31 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Identification of potent and reversible piperidine carboxamides that are species-selective orally active proteasome inhibitors to treat malaria. Cell Chem Biol, 31, 2024
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3P6S
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2KMC
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![BU of 2kmc by Molmil](/molmil-images/mine/2kmc) | Solution Structure of the N-terminal domain of kindlin-1 | Descriptor: | Fermitin family homolog 1 | Authors: | Goult, B.T, Bate, N, Roberts, G.C, Barsukov, I.L, Critchley, D.R. | Deposit date: | 2009-07-27 | Release date: | 2009-10-06 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The Structure of the N-Terminus of Kindlin-1: A Domain Important for alphaIIbbeta3 Integrin Activation J.Mol.Biol., 394, 2009
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