2VRM
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![BU of 2vrm by Molmil](/molmil-images/mine/2vrm) | Structure of human MAO B in complex with phenyethylhydrazine | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, PHENYLETHANE | Authors: | Binda, C, Wang, J, Li, M, Hubalek, F, Mattevi, A, Edmondson, D.E. | Deposit date: | 2008-04-09 | Release date: | 2008-04-22 | Last modified: | 2014-01-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Mechanistic Studies of Arylalkylhydrazine Inhibition of Human Monoamine Oxidases a and B Biochemistry, 47, 2008
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2VRL
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![BU of 2vrl by Molmil](/molmil-images/mine/2vrl) | Structure of human MAO B in complex with benzylhydrazine | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, TOLUENE | Authors: | Binda, C, Wang, J, Li, M, Hubalek, F, Mattevi, A, Edmondson, D.E. | Deposit date: | 2008-04-09 | Release date: | 2008-04-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Mechanistic Studies of Arylalkylhydrazine Inhibition of Human Monoamine Oxidases a and B Biochemistry, 47, 2008
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3NBE
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![BU of 3nbe by Molmil](/molmil-images/mine/3nbe) | Clitocybe nebularis ricin B-like lectin (CNL) in complex with N,N'-diacetyllactosediamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Ricin B-like lectin, SULFATE ION | Authors: | Renko, M, Pohleven, J, Sabotic, J, Kos, J, Turk, D. | Deposit date: | 2010-06-03 | Release date: | 2011-07-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Bivalent carbohydrate binding is required for biological activity of Clitocybe nebularis lectin (CNL), the N,N'-diacetyllactosediamine (GalNAc beta 1-4GlcNAc, LacdiNAc)-specific lectin from basidiomycete C. nebularis J.Biol.Chem., 287, 2012
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4MR8
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![BU of 4mr8 by Molmil](/molmil-images/mine/4mr8) | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist CGP35348 | Descriptor: | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid, 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, ... | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | Deposit date: | 2013-09-17 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor. Nature, 504, 2013
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4MR7
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![BU of 4mr7 by Molmil](/molmil-images/mine/4mr7) | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist CGP54626 | Descriptor: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | Deposit date: | 2013-09-17 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor. Nature, 504, 2013
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4MS1
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![BU of 4ms1 by Molmil](/molmil-images/mine/4ms1) | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist CGP46381 | Descriptor: | (S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid, 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, ... | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | Deposit date: | 2013-09-18 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor. Nature, 504, 2013
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3OE9
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![BU of 3oe9 by Molmil](/molmil-images/mine/3oe9) | Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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6BXP
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![BU of 6bxp by Molmil](/molmil-images/mine/6bxp) | |
5T8F
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![BU of 5t8f by Molmil](/molmil-images/mine/5t8f) | p110delta/p85alpha with taselisib (GDC-0032) | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Moertl, M, Steinbacher, S, Eigenbrot, C. | Deposit date: | 2016-09-07 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
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5T8O
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![BU of 5t8o by Molmil](/molmil-images/mine/5t8o) | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3 | Descriptor: | 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Smith, M.A, McEwan, P, Hymowitz, S.G. | Deposit date: | 2016-09-08 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
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6TTU
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![BU of 6ttu by Molmil](/molmil-images/mine/6ttu) | Ubiquitin Ligation to substrate by a cullin-RING E3 ligase at 3.7A resolution: NEDD8-CUL1-RBX1 N98R-SKP1-monomeric b-TRCP1dD-IkBa-UB~UBE2D2 | Descriptor: | CYS-LYS-LYS-ALA-ARG-HIS-ASP-SEP-GLY, Cullin-1, E3 ubiquitin-protein ligase RBX1, ... | Authors: | Baek, K, Prabu, J.R, Schulman, B.A. | Deposit date: | 2019-12-30 | Release date: | 2020-02-12 | Last modified: | 2020-03-04 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | NEDD8 nucleates a multivalent cullin-RING-UBE2D ubiquitin ligation assembly. Nature, 578, 2020
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2XHL
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![BU of 2xhl by Molmil](/molmil-images/mine/2xhl) | Structure of a functional derivative of Clostridium botulinum neurotoxin type B | Descriptor: | BOTULINUM NEUROTOXIN B HEAVY CHAIN, BOTULINUM NEUROTOXIN B LIGHT CHAIN, ZINC ION | Authors: | Masuyer, G, Beard, M, Cadd, V.A, Chaddock, J.A, Acharya, K.R. | Deposit date: | 2010-06-18 | Release date: | 2010-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and Activity of a Functional Derivative of Clostridium Botulinum Neurotoxin B. J.Struct.Biol., 174, 2011
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4M44
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![BU of 4m44 by Molmil](/molmil-images/mine/4m44) | Crystal structure of hemagglutinin of influenza virus B/Yamanashi/166/1998 in complex with avian-like receptor LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | Ni, F, Kondrashkina, E, Wang, Q. | Deposit date: | 2013-08-06 | Release date: | 2013-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the divergent evolution of influenza B virus hemagglutinin. Virology, 446, 2013
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6HPF
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![BU of 6hpf by Molmil](/molmil-images/mine/6hpf) | Structure of Inactive E165Q mutant of fungal non-CBM carrying GH26 endo-b-mannanase from Yunnania penicillata in complex with alpha-62-61-di-galactosyl-mannotriose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ... | Authors: | von Freiesleben, P, Moroz, O.V, Blagova, E, Wiemann, M, Spodsberg, N, Agger, J.W, Davies, G.J, Wilson, K.S, Stalbrand, H, Meyer, A.S, Krogh, K.B.R.M. | Deposit date: | 2018-09-20 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal structure and substrate interactions of an unusual fungal non-CBM carrying GH26 endo-beta-mannanase from Yunnania penicillata. Sci Rep, 9, 2019
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2VZ2
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![BU of 2vz2 by Molmil](/molmil-images/mine/2vz2) | Human MAO B in complex with mofegiline | Descriptor: | (1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Bonivento, D, Mattevi, A. | Deposit date: | 2008-07-29 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and mechanistic studies of mofegiline inhibition of recombinant human monoamine oxidase B. J. Med. Chem., 51, 2008
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3PO7
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![BU of 3po7 by Molmil](/molmil-images/mine/3po7) | Human monoamine oxidase B in complex with zonisamide | Descriptor: | 1-(1,2-benzoxazol-3-yl)methanesulfonamide, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Binda, C, Aldeco, M, Mattevi, A, Edmondson, D.E. | Deposit date: | 2010-11-22 | Release date: | 2011-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Interactions of monoamine oxidases with the antiepileptic drug zonisamide: specificity of inhibition and structure of the human monoamine oxidase B complex J.Med.Chem., 54, 2011
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4NRJ
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![BU of 4nrj by Molmil](/molmil-images/mine/4nrj) | Structure of hemagglutinin with F95Y mutation of influenza virus B/Lee/40 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ HA1 CHAIN, ... | Authors: | Ni, F, Mbawuike, I.N, Kondrashkina, E, Wang, Q. | Deposit date: | 2013-11-26 | Release date: | 2014-03-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | The roles of hemagglutinin Phe-95 in receptor binding and pathogenicity of influenza B virus. Virology, 450-451, 2014
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3NBC
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![BU of 3nbc by Molmil](/molmil-images/mine/3nbc) | Clitocybe nebularis ricin B-like lectin (CNL) in complex with lactose, crystallized at pH 4.4 | Descriptor: | Ricin B-like lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Renko, M, Pohleven, J, Sabotic, J, Kos, J, Turk, D. | Deposit date: | 2010-06-03 | Release date: | 2011-09-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Bivalent carbohydrate binding is required for biological activity of Clitocybe nebularis lectin (CNL), the N,N'-diacetyllactosediamine (GalNAc beta 1-4GlcNAc, LacdiNAc)-specific lectin from basidiomycete C. nebularis J.Biol.Chem., 287, 2012
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6N0Q
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![BU of 6n0q by Molmil](/molmil-images/mine/6n0q) | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | Descriptor: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-11-07 | Release date: | 2019-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic. J.Med.Chem., 63, 2020
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5DNK
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![BU of 5dnk by Molmil](/molmil-images/mine/5dnk) | The structure of PKMT1 from Rickettsia prowazekii in complex with AdoHcy | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, protein lysine methyltransferase 1 | Authors: | Noinaj, N, Abeykoon, A, He, Y, Yang, D.C, Buchanan, S.K. | Deposit date: | 2015-09-10 | Release date: | 2016-08-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia. J.Biol.Chem., 291, 2016
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5HPU
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![BU of 5hpu by Molmil](/molmil-images/mine/5hpu) | Insulin with proline analog HyP at position B28 in the R6 state | Descriptor: | CHLORIDE ION, Insulin, chain A, ... | Authors: | Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A. | Deposit date: | 2016-01-21 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation. J. Am. Chem. Soc., 139, 2017
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5HRQ
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![BU of 5hrq by Molmil](/molmil-images/mine/5hrq) | Insulin with proline analog HzP at position B28 in the R6 state | Descriptor: | CHLORIDE ION, Insulin A-Chain, Insulin B-Chain, ... | Authors: | Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A. | Deposit date: | 2016-01-24 | Release date: | 2017-01-25 | Last modified: | 2020-01-15 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | 4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation. J. Am. Chem. Soc., 139, 2017
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2XWJ
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![BU of 2xwj by Molmil](/molmil-images/mine/2xwj) | Crystal Structure of Complement C3b in Complex with Factor B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 ALPHA CHAIN, COMPLEMENT C3 BETA CHAIN, ... | Authors: | Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P. | Deposit date: | 2010-11-04 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation. Science, 330, 2010
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2XWB
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![BU of 2xwb by Molmil](/molmil-images/mine/2xwb) | Crystal Structure of Complement C3b in complex with Factors B and D | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3B ALPHA' CHAIN, ... | Authors: | Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P. | Deposit date: | 2010-11-01 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation. Science, 330, 2010
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1W01
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![BU of 1w01 by Molmil](/molmil-images/mine/1w01) | |