2BK4
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![BU of 2bk4 by Molmil](/molmil-images/mine/2bk4) | Human Monoamine Oxidase B: I199F mutant in complex with rasagiline | Descriptor: | (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Binda, C, Edmondson, D.E, Mattevi, A, Hubalek, F, Khalil, A, Li, M, Castagnoli, N. | Deposit date: | 2005-02-10 | Release date: | 2005-02-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Demonstration of Isoleucine 199 as a Structural Determinant for the Selective Inhibition of Human Monoamine Oxidase B by Specific Reversible Inhibitors J.Biol.Chem., 280, 2005
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7G19
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![BU of 7g19 by Molmil](/molmil-images/mine/7g19) | Crystal Structure of human FABP4 in complex with 5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole | Descriptor: | 5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole, FORMIC ACID, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Kyburz, E, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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1CPJ
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2BK3
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![BU of 2bk3 by Molmil](/molmil-images/mine/2bk3) | Human Monoamine Oxidase B in complex with Farnesol | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Binda, C, Edmondson, D.E, Mattevi, A. | Deposit date: | 2005-02-10 | Release date: | 2005-02-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Demonstration of isoleucine 199 as a structural determinant for the selective inhibition of human monoamine oxidase B by specific reversible inhibitors. J. Biol. Chem., 280, 2005
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3B2Q
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![BU of 3b2q by Molmil](/molmil-images/mine/3b2q) | Intermediate position of ATP on its trail to the binding pocket inside the subunit B mutant R416W of the energy converter A1Ao ATP synthase | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, ... | Authors: | Kumar, A, Manimekalai, M.S.S, Balakrishna, A.M, Hunke, C, Gruber, G. | Deposit date: | 2007-10-19 | Release date: | 2008-09-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Spectroscopic and crystallographic studies of the mutant R416W give insight into the nucleotide binding traits of subunit B of the A1Ao ATP synthase Proteins, 75, 2009
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2C76
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![BU of 2c76 by Molmil](/molmil-images/mine/2c76) | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | Descriptor: | AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE, N-PROPARGYL-1(S)-AMINOINDAN | Authors: | Li, M, Binda, C, Mattevi, A, Edmondson, D.E. | Deposit date: | 2005-11-17 | Release date: | 2006-04-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins Biochemistry, 45, 2006
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2C73
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![BU of 2c73 by Molmil](/molmil-images/mine/2c73) | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | Descriptor: | AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE, N-PROPARGYL-1(S)-AMINOINDAN | Authors: | Li, M, Binda, C, Mattevi, A, Edmondson, D.E. | Deposit date: | 2005-11-17 | Release date: | 2006-04-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins Biochemistry, 45, 2006
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2C72
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![BU of 2c72 by Molmil](/molmil-images/mine/2c72) | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | Descriptor: | AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE, N-PROPARGYL-1(S)-AMINOINDAN | Authors: | Li, M, Binda, C, Mattevi, A, Edmondson, D.E. | Deposit date: | 2005-11-17 | Release date: | 2006-04-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins Biochemistry, 45, 2006
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6MKT
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![BU of 6mkt by Molmil](/molmil-images/mine/6mkt) | Photoactive Yellow Protein with 3-chlorotyrosine substituted at position 42 | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | Authors: | Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. | Deposit date: | 2018-09-26 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation. J.Phys.Chem.B, 123, 2019
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3C9N
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![BU of 3c9n by Molmil](/molmil-images/mine/3c9n) | Crystal Structure of a SARS Corona Virus Derived Peptide Bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Roder, G.A, Kristensen, O, Kastrup, J.S, Buus, S, Gajhede, M. | Deposit date: | 2008-02-18 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure of a SARS coronavirus-derived peptide bound to the human major histocompatibility complex class I molecule HLA-B*1501. ACTA CRYSTALLOGR.,SECT.F, 64, 2008
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1L0N
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![BU of 1l0n by Molmil](/molmil-images/mine/1l0n) | native structure of bovine mitochondrial cytochrome bc1 complex | Descriptor: | Cytochrome B, Cytochrome c1, heme protein, ... | Authors: | Gao, X, Wen, X, Yu, C.A, Esser, L, Tsao, S, Quinn, B, Zhang, L, Yu, L, Xia, D. | Deposit date: | 2002-02-11 | Release date: | 2003-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Crystal Structure of Mitochondrial Cytochrome bc1 in Complex with Famoxadone: The Role of Aromatic-Aromatic Interaction in Inhibition Biochemistry, 41, 2003
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2C75
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![BU of 2c75 by Molmil](/molmil-images/mine/2c75) | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | Descriptor: | AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE, N-PROPARGYL-1(S)-AMINOINDAN | Authors: | Li, M, Binda, C, Mattevi, A, Edmondson, D.E. | Deposit date: | 2005-11-17 | Release date: | 2006-04-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins Biochemistry, 45, 2006
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1LTA
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![BU of 1lta by Molmil](/molmil-images/mine/1lta) | 2.2 ANGSTROMS CRYSTAL STRUCTURE OF E. COLI HEAT-LABILE ENTEROTOXIN (LT) WITH BOUND GALACTOSE | Descriptor: | HEAT-LABILE ENTEROTOXIN, SUBUNIT A, SUBUNIT B, ... | Authors: | Merritt, E.A, Sixma, T.K, Kalk, K.H, Van Zanten, B.A.M, Hol, W.G.J. | Deposit date: | 1993-09-15 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Galactose-binding site in Escherichia coli heat-labile enterotoxin (LT) and cholera toxin (CT). Mol.Microbiol., 13, 1994
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1SYS
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![BU of 1sys by Molmil](/molmil-images/mine/1sys) | Crystal structure of HLA, B*4403, and peptide EEPTVIKKY | Descriptor: | Beta-2-microglobulin, Sorting nexin 5, leukocyte antigen (HLA) class I molecule | Authors: | Zernich, D, Purcell, A.W, Macdonald, W.A, Kjer-Nielsen, L, Ely, L.K, Laham, N, Crockford, T, Mifsud, N.A, Tait, B.D, Holdsworth, R, Brooks, A.G, Bottomley, S.P, Beddoe, T, Peh, C.A, Rossjohn, J, McCluskey, J. | Deposit date: | 2004-04-01 | Release date: | 2004-10-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Natural HLA class I polymorphism controls the pathway of antigen presentation and susceptibility to viral evasion J.Exp.Med., 200, 2004
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6MHI
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![BU of 6mhi by Molmil](/molmil-images/mine/6mhi) | Photoactive Yellow Protein with covalently bound 3,5-dichloro-4-hydroxycinnamic acid chromophore | Descriptor: | (2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid, Photoactive yellow protein | Authors: | Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. | Deposit date: | 2018-09-18 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation. J.Phys.Chem.B, 123, 2019
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1T2F
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![BU of 1t2f by Molmil](/molmil-images/mine/1t2f) | Human B lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid | Descriptor: | 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase B chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-21 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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1UWH
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![BU of 1uwh by Molmil](/molmil-images/mine/1uwh) | The complex of wild type B-RAF and BAY439006. | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE, CHLORIDE ION | Authors: | Barford, D, Roe, S.M, Wan, P.T.C, Cancer Genome Project | Deposit date: | 2004-02-05 | Release date: | 2004-03-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Mechanism of Activation of the Raf-Erk Signaling Pathway by Oncogenic Mutations of B-Raf Cell(Cambridge,Mass.), 116, 2004
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1UXZ
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![BU of 1uxz by Molmil](/molmil-images/mine/1uxz) | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A | Descriptor: | CELLULASE B | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | Deposit date: | 2004-03-01 | Release date: | 2004-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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1UWJ
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![BU of 1uwj by Molmil](/molmil-images/mine/1uwj) | The complex of mutant V599E B-RAF and BAY439006. | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE | Authors: | Barford, D, Roe, S.M, Wan, P.T.C, Cancer Genome Project | Deposit date: | 2004-02-05 | Release date: | 2004-03-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Mechanism of Activation of the Raf-Erk Signaling Pathway by Oncogenic Mutations of B-Raf Cell(Cambridge,Mass.), 116, 2004
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1JO3
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1DBG
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![BU of 1dbg by Molmil](/molmil-images/mine/1dbg) | CRYSTAL STRUCTURE OF CHONDROITINASE B | Descriptor: | 4-deoxy-alpha-D-glucopyranose-(1-3)-[beta-D-glucopyranose-(1-4)]2-O-methyl-beta-L-fucopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-2)-[alpha-L-rhamnopyranose-(1-4)]alpha-D-mannopyranose, CHONDROITINASE B | Authors: | Huang, W, Matte, A, Li, Y, Kim, Y.S, Linhardt, R.J, Su, H, Cygler, M. | Deposit date: | 1999-11-02 | Release date: | 2000-01-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of chondroitinase B from Flavobacterium heparinum and its complex with a disaccharide product at 1.7 A resolution. J.Mol.Biol., 294, 1999
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4F4A
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![BU of 4f4a by Molmil](/molmil-images/mine/4f4a) | |
1JGD
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![BU of 1jgd by Molmil](/molmil-images/mine/1jgd) | HLA-B*2709 bound to deca-peptide s10R | Descriptor: | BETA-2-MICROGLOBULIN, GLYCEROL, HUMAN LYMPHOCYTE ANTIGEN HLA-B27, ... | Authors: | Hillig, R.C, Huelsmeyer, M, Saenger, W, Volz, A, Uchanska-Ziegler, B, Ziegler, A. | Deposit date: | 2001-06-25 | Release date: | 2003-07-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Thermodynamic and structural analysis
of peptide- and allele-dependent properties
of two HLA-B27 subtypes exhibiting differential disease
association J.Biol.Chem., 279, 2004
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7GZG
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![BU of 7gzg by Molmil](/molmil-images/mine/7gzg) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000620-001 | Descriptor: | (3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[3,2-b]pyridine-5-carbonyl)amino]propanoic acid, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.251 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZI
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![BU of 7gzi by Molmil](/molmil-images/mine/7gzi) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000753-001 | Descriptor: | 3-[4-(cyclopropylcarbamamido)benzamido]-1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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