1YNL
 
 | | Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeterners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647 | | Descriptor: | 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, Ig gamma heavy chain, Ig gamma light chain | | Authors: | Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B. | | Deposit date: | 2005-01-24 | | Release date: | 2005-08-16 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners
Biochemistry, 44, 2005
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2FVH
 | | Crystal Structure of Rv1848, a Urease Gamma Subunit UreA (Urea amidohydrolase), from Mycobacterium Tuberculosis | | Descriptor: | Urease gamma subunit | | Authors: | Bursey, E.H, Yu, M, TB Structural Genomics Consortium (TBSGC), Lekin, T, Rupp, B, Kim, C.Y, Rho, B.S, Terwilliger, T.C. | | Deposit date: | 2006-01-30 | | Release date: | 2006-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Rv1848, a Urease Gamma Subunit UreA (Urea amidohydrolase), from Mycobacterium Tuberculosis
To be Published
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2J9N
 | | Robotically harvested Trypsin complexed with Benzamidine containing polypeptide mediated crystal contacts | | Descriptor: | BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ... | | Authors: | Viola, R, Carman, P, Walsh, J, Miller, E, Benning, M, Frankel, D, McPherson, A, Cudney, R, Rupp, B. | | Deposit date: | 2006-11-14 | | Release date: | 2007-04-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Operator Assisted Harvesting of Protein Crystals Using a Universal Micromanipulation Robot.
J.Appl.Crystallogr., 40, 2007
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1GS9
 | | Apolipoprotein E4, 22k domain | | Descriptor: | APOLIPOPROTEIN E | | Authors: | Verderame, J.R, Kantardjieff, K, Segelke, B, Weisgraber, K, Rupp, B. | | Deposit date: | 2002-01-02 | | Release date: | 2003-06-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of the 22K Domain of Human Apolipoprotein E4
To be Published
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1GKB
 | | CONCANAVALIN A, NEW CRYSTAL FORM | | Descriptor: | CALCIUM ION, CONCANAVALIN A, MAGNESIUM ION, ... | | Authors: | Kantardjieff, K, Rupp, B, Hoechtl, P, Segelke, B. | | Deposit date: | 2001-08-10 | | Release date: | 2001-08-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Concanavalin a in a Dimeric Crystal Form: Revisiting Structural Accuracy and Molecular Flexibility
Acta Crystallogr.,Sect.D, 58, 2002
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7PGT
 | | The structure of human neurofibromin isoform 2 in opened conformation. | | Descriptor: | Neurofibromin, ZINC ION | | Authors: | Naschberger, A, Baradaran, R, Carroni, M, Rupp, B. | | Deposit date: | 2021-08-15 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
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7PGR
 | | The structure of human neurofibromin isoform 2 in closed conformation | | Descriptor: | Neurofibromin, ZINC ION | | Authors: | Naschberger, A, Baradaran, R, Carroni, M, Rupp, B. | | Deposit date: | 2021-08-15 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
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7PGS
 | | Consensus structure of human Neurofibromin isoform 2 | | Descriptor: | Neurofibromin, ZINC ION | | Authors: | Naschberger, A, Baradaran, R, Carroni, M, Rupp, B. | | Deposit date: | 2021-08-15 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
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7PGU
 | | Autoinhibited structure of human neurofibromin isoform 2 stabilized by Zinc. | | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Neurofibromin, ZINC ION | | Authors: | Naschberger, A, Baradaran, R, Carroni, M, Rupp, B. | | Deposit date: | 2021-08-15 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
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1E1H
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8PB4
 | | PsiM in complex with SAH and norbaeocystin, orthorhombic crystal form | | Descriptor: | CHLORIDE ION, Norbaeocystin, Psilocybin synthase, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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8PB6
 | | PsiM in complex with SAH and baeocystin | | Descriptor: | Baeocystin, CHLORIDE ION, Psilocybin synthase, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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8PB8
 | | PsiM in complex with SAH | | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Psilocybin synthase, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.531 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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8PB7
 | | PsiM in complex with sinefungin and baeocystin | | Descriptor: | Baeocystin, CHLORIDE ION, Psilocybin synthase, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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8PB3
 | | PsiM in complex with SAH and norbaeocystin, monoclinic crystal form | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Norbaeocystin, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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8PB5
 | | PsiM in complex with sinefungin and norbaeocystin | | Descriptor: | CHLORIDE ION, Norbaeocystin, Psilocybin synthase, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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1GQA
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1HKW
 | | MYCOBACTERIUM DIAMINOPIMELATE DICARBOXYLASE (LysA) | | Descriptor: | DIAMINOPIMELATE DECARBOXYLASE, SULFATE ION | | Authors: | Gokulan, K, Rupp, B, Pavelka Jr, M.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-03-11 | | Release date: | 2003-03-18 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Mycobacterium Tuberculosis Diaminopimelate Decarboxylase, an Essential Enzyme in Bacterial Lysine Biosynthesis
J.Biol.Chem., 278, 2003
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1HKV
 | | mycobacterium diaminopimelate dicarboxylase (lysa) | | Descriptor: | DIAMINOPIMELATE DECARBOXYLASE, LYSINE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Gokulan, K, Rupp, B, Pavelka Jr, M.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-03-11 | | Release date: | 2003-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Mycobacterium Tuberculosis Diaminopimelate Decarboxylase, an Essential Enzyme in Bacterial Lysine Biosynthesis
J.Biol.Chem., 278, 2003
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1DYQ
 | | STAPHYLOCOCCAL ENTEROTOXIN A MUTANT VACCINE | | Descriptor: | Enterotoxin type A, SULFATE ION, ZINC ION | | Authors: | Krupka, H.I, Segelke, B.W, Rupp, B. | | Deposit date: | 2000-02-05 | | Release date: | 2001-03-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Basis for Abrogated Binding between Staphylococcal Enterotoxin a Superantigen Vaccine and Mhc-II?
Protein Sci., 11, 2002
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1E9N
 | | A second divalent metal ion in the active site of a new crystal form of human apurinic/apyrimidinic endonuclease, Ape1, and its implications for the catalytic mechanism | | Descriptor: | DNA-(APURINIC OR APYRIMIDINIC SITE) LYASE, LEAD (II) ION | | Authors: | Beernink, P.T, Segelke, B.W, Rupp, B. | | Deposit date: | 2000-10-24 | | Release date: | 2001-02-16 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism
J.Mol.Biol., 307, 2001
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1JBC
 | | CONCANAVALIN A | | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | | Authors: | Parkin, S, Rupp, B, Hope, H. | | Deposit date: | 1996-08-23 | | Release date: | 1997-02-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Atomic resolution structure of concanavalin A at 120 K.
Acta Crystallogr.,Sect.D, 52, 1996
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1UPI
 | | Mycobacterium tuberculosis rmlC epimerase (Rv3465) | | Descriptor: | DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE | | Authors: | Kim, C.-Y, Naranjo, C, Waldo, G.S, Lekin, T, Segelke, B.W, Kantardjieff, K.A, Zemla, A, Terwilliger, T, Rupp, B, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-10-05 | | Release date: | 2003-10-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mycobacterium Tuberculosis Rmlc Epimerase (Rv3465): A Promising Drug-Target Structure in the Rhamnose Pathway
Acta Crystallogr.,Sect.D, 60, 2004
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1W30
 | | PyrR of Mycobacterium Tuberculosis as a potential drug target | | Descriptor: | PYRR BIFUNCTIONAL PROTEIN | | Authors: | Kantardjieff, K.A, Vasquez, C, Castro, P, Warfel, N.N, Rho, B.-S, Lekin, T, Kim, C.-Y, Segelke, B.W, Terwilliger, T, Rupp, B, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-07-11 | | Release date: | 2004-09-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Pyrr (Rv1379) from Mycobacterium Tuberculosis: A Persistence Gene and Protein Drug Target
Acta Crystallogr.,Sect.D, 61, 2005
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1HD7
 | | A Second Divalent Metal Ion in the Active Site of a New Crystal Form of Human Apurinic/Apyridinimic Endonuclease, Ape1, and its Implications for the Catalytic Mechanism | | Descriptor: | DNA-(APURINIC OR APYRIMIDINIC SITE) LYASE, LEAD (II) ION | | Authors: | Beernink, P.T, Segelke, B.W, Rupp, B. | | Deposit date: | 2000-11-09 | | Release date: | 2001-02-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism
J.Mol.Biol., 307, 2001
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