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1QOM
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BU of 1qom by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH SWAPPED N-TERMINAL HOOK
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Crane, B.R, Rosenfeld, R.A, Arvai, A.S, Tainer, J.A, Stuehr, D.J, Getzoff, E.D.
Deposit date:1999-11-15
Release date:1999-12-15
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:N-Terminal Domain Swapping and Metal Ion Binding in Nitric Oxide Synthase Dimerization
Embo J., 18, 1999
8S9T
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BU of 8s9t by Molmil
CRISPR-Cas type III-D effector complex
Descriptor: CRISPR RNA, Cas10, Cas7-2x, ...
Authors:Schwartz, E.A, Taylor, D.W.
Deposit date:2023-03-30
Release date:2024-04-24
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:RNA targeting and cleavage by the type III-Dv CRISPR effector complex.
Nat Commun, 15, 2024
8S9U
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BU of 8s9u by Molmil
CRISPR-Cas type III-D effector complex bound to a target RNA
Descriptor: CRISPR RNA, Cas10, Cas7-2x, ...
Authors:Schwartz, E.A, Taylor, D.W.
Deposit date:2023-03-30
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Type III CRISPR-Cas effectors act as protein-assisted ribozymes
To Be Published
3MLJ
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BU of 3mlj by Molmil
Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound carbon monooxide (CO)
Descriptor: ACETATE ION, CARBON MONOXIDE, COPPER (II) ION, ...
Authors:Prigge, S.T, Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M.
Deposit date:2010-04-16
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Differential reactivity between two copper sites in peptidylglycine alpha-hydroxylating monooxygenase
J.Am.Chem.Soc., 132, 2010
2WM3
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BU of 2wm3 by Molmil
Crystal structure of NmrA-like family domain containing protein 1 in complex with niflumic acid
Descriptor: 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Bhatia, C, Yue, W.W, Niesen, F, Pilka, E, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-06-29
Release date:2009-08-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid
To be Published
2XCN
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BU of 2xcn by Molmil
Crystal structure of HCV NS3 protease with a boronate inhibitor
Descriptor: MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ...
Authors:Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E.
Deposit date:2010-04-23
Release date:2010-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2EIE
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BU of 2eie by Molmil
Crystal Structure of Galactose Oxidase complexed with Azide
Descriptor: AZIDE ION, COPPER (II) ION, Galactose oxidase
Authors:Phillips, S.E, McPherson, M.J, Knowles, P.F, Akyumani, N, Firbank, S.J, Tamber, S.
Deposit date:2007-03-12
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis
Biochemistry, 46, 2007
8SL9
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BU of 8sl9 by Molmil
Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73
Descriptor: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine, ...
Authors:Shaw, G.X, Shi, G, Cherry, S, Needle, D, Tropea, J.E, Waugh, D.S, Ji, X.
Deposit date:2023-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73
To be published
8RW3
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BU of 8rw3 by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine
Descriptor: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, OXALATE ION, ...
Authors:Moran, E, Davies, G, Ofamn, T, Heming, J, Nin-Hill, A, Kullmer, F, Steneker, R, Klein, A, Bennett, M, Ruijgrok, G, Kok, K, Aerts, J, Van der Marel, G, Rovira, C, Artola, M, Codee, J, Overkleeft, H.
Deposit date:2024-02-02
Release date:2024-05-15
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
3MIH
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BU of 3mih by Molmil
Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide, obtained in the presence of substrate
Descriptor: AZIDE ION, COPPER (II) ION, IODIDE ION, ...
Authors:Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M.
Deposit date:2010-04-10
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
2XLN
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BU of 2xln by Molmil
Crystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate inhibitor
Descriptor: COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE,, SULFATE ION, ...
Authors:Sauvage, E, Herman, R, Kerff, F, Rocaboy, M, Charlier, P.
Deposit date:2010-07-21
Release date:2011-01-26
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure Guided Development of Potent Reversibly Binding Penicillin Binding Protein Inhibitors
Acs Med.Chem.Lett., 2, 2011
7RK0
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BU of 7rk0 by Molmil
Crystal structure of Thermovibrio ammonificans THI4
Descriptor: 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (III) ION, Thiamine thiazole synthase
Authors:Li, Q, Bruner, S.D.
Deposit date:2021-07-21
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure and function of aerotolerant, multiple-turnover THI4 thiazole synthases.
Biochem.J., 478, 2021
6UJX
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BU of 6ujx by Molmil
HIV-1 wild-type reverse transcriptase-DNA complex with (-)-FTC-TP
Descriptor: DNA primer, DNA template, MAGNESIUM ION, ...
Authors:Lansdon, E.B.
Deposit date:2019-10-03
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.70451212 Å)
Cite:Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
5CGN
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BU of 5cgn by Molmil
Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 8
Descriptor: CHLORIDE ION, D-Ala-Magainin Derivative, L-ACPC8-Ala-Magainin
Authors:Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H.
Deposit date:2015-07-09
Release date:2015-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif.
J.Am.Chem.Soc., 137, 2015
8SFX
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BU of 8sfx by Molmil
High Affinity nanobodies against GFP
Descriptor: D-MALATE, GLYCEROL, Green fluorescent protein, ...
Authors:Ketaren, N.E, Rout, M.P, Bonanno, J.B, Almo, S.C.
Deposit date:2023-04-11
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High Affinity nanobodies against GFP
To Be Published
8DMH
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BU of 8dmh by Molmil
Lymphocytic choriomeningitis virus glycoprotein in complex with neutralizing antibody M28
Descriptor: 18.5C-M28 Fab Heavy Chain, 18.5C-M28 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Moon-Walker, A, Hastie, K.M, Zyla, D.S, Saphire, E.O.
Deposit date:2022-07-08
Release date:2023-04-12
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural basis for antibody-mediated neutralization of lymphocytic choriomeningitis virus.
Cell Chem Biol, 30, 2023
5SX4
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BU of 5sx4 by Molmil
Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3.
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Sickmier, E.A, Kurzeja, R.J.M, Michelsen, K, Mukta, V, Yang, E, Tasker, A.S.
Deposit date:2016-08-09
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Panitumumab EGFR Complex Reveals a Binding Mechanism That Overcomes Cetuximab Induced Resistance.
Plos One, 11, 2016
3MLK
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BU of 3mlk by Molmil
Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound nitrite
Descriptor: COPPER (II) ION, NICKEL (II) ION, NITRITE ION, ...
Authors:Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M.
Deposit date:2010-04-16
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Differential reactivity between two copper sites in peptidylglycine alpha-hydroxylating monooxygenase
J.Am.Chem.Soc., 132, 2010
7RAG
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BU of 7rag by Molmil
Structure of the CwlD amidase from Clostridioides difficile in complex with the GerS lipoprotein
Descriptor: 1,2-ETHANEDIOL, Germination-specific N-acetylmuramoyl-L-alanine amidase, Autolysin, ...
Authors:Eckenroth, B.E, Doublie, S.
Deposit date:2021-07-01
Release date:2021-09-08
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A lipoprotein allosterically activates the CwlD amidase during Clostridioides difficile spore formation.
Plos Genet., 17, 2021
4NG3
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BU of 4ng3 by Molmil
Crystal structure of 5-carboxyvanillate decarboxylase from Sphingomonas paucimobilis complexed with 4-Hydroxy-3-methoxy-5-nitrobenzoic acid
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-3-methoxy-5-nitrobenzoic acid, 5-carboxyvanillate decarboxylase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Vladimirova, A, Raushel, F.M, Almo, S.C.
Deposit date:2013-11-01
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Crystal structure of 5-carboxyvanillate decarboxylase from Sphingomonas paucimobilis complexed with 4-Hydroxy-3-methoxy-5-nitrobenzoic acid
To be Published
8QEW
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BU of 8qew by Molmil
Eosinophil Derived Neurotoxin/RNase 2 in complex with Tartrate
Descriptor: L(+)-TARTARIC ACID, Non-secretory ribonuclease
Authors:Li, J, Kang, X, Prats-Ejarque, G, Boix, E.
Deposit date:2023-09-01
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Eosinophil Derived Neurotoxin/RNase 2 in complex with Tartrate
To Be Published
5C7E
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BU of 5c7e by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal domain (1-209) in complex with Arabidopsis IAA10 peptide
Descriptor: ASPR2 protein, Auxin-responsive protein IAA10, ZINC ION
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2015-06-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
4NKV
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BU of 4nkv by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with inhibitor abiraterone
Descriptor: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Scott, E.E, Petrunak, E.M.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.646 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
2VVL
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BU of 2vvl by Molmil
The structure of MAO-N-D3, a variant of monoamine oxidase from Aspergillus niger.
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE N
Authors:Atkin, K.E, Hart, S, Turkenburg, J.P, Brzozowski, A.M, Grogan, G.J.
Deposit date:2008-06-10
Release date:2008-11-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Structure of Monoamine Oxidase from Aspergillus Niger Provides a Molecular Context for Improvements in Activity Obtained by Directed Evolution.
J.Mol.Biol., 384, 2008
6EBZ
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BU of 6ebz by Molmil
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Activated Form with Thiocyanate Bound
Descriptor: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
Authors:Palowitch, G.M, Boal, A.K.
Deposit date:2018-08-07
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

225399

数据于2024-09-25公开中

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