1GS9
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![BU of 1gs9 by Molmil](/molmil-images/mine/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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1HKV
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![BU of 1hkv by Molmil](/molmil-images/mine/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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1JBC
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![BU of 1jbc by Molmil](/molmil-images/mine/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: | 2024-05-22 | 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
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![BU of 1upi by Molmil](/molmil-images/mine/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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7PGS
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![BU of 7pgs by Molmil](/molmil-images/mine/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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7PGT
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![BU of 7pgt by Molmil](/molmil-images/mine/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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7PGU
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![BU of 7pgu by Molmil](/molmil-images/mine/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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7PGR
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![BU of 7pgr by Molmil](/molmil-images/mine/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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2A2J
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![BU of 2a2j by Molmil](/molmil-images/mine/2a2j) | Crystal structure of a putative pyridoxine 5'-phosphate oxidase (Rv2607) from Mycobacterium tuberculosis | Descriptor: | Pyridoxamine 5'-phosphate oxidase | Authors: | Pedelacq, J.-D, Rho, B.-S, Kim, C.-Y, Waldo, G.S, Lekin, T.P, Segelke, B.W, Rupp, B, Hung, L.-W, Kim, S.-I, Terwilliger, T.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | Deposit date: | 2005-06-22 | Release date: | 2005-08-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a putative pyridoxine 5'-phosphate oxidase (Rv2607) from Mycobacterium tuberculosis. Proteins, 62, 2005
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1YNK
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![BU of 1ynk by Molmil](/molmil-images/mine/1ynk) | Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeteners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647 | Descriptor: | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL, Ig gamma heavy chain, immunoglobulin kappa 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: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 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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1HD7
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![BU of 1hd7 by Molmil](/molmil-images/mine/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: | 2024-05-01 | 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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1YK3
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![BU of 1yk3 by Molmil](/molmil-images/mine/1yk3) | Crystal structure of Rv1347c from Mycobacterium tuberculosis | Descriptor: | Hypothetical protein Rv1347c/MT1389, octyl beta-D-glucopyranoside | Authors: | Card, G.L, Peterson, N.A, Smith, C.A, Rupp, B, Schick, B.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-01-16 | Release date: | 2005-02-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of Rv1347c, a putative antibiotic resistance protein from Mycobacterium tuberculosis, reveals a GCN5-related fold and suggests an alternative function in siderophore biosynthesis J.Biol.Chem., 280, 2005
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1YNL
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![BU of 1ynl by Molmil](/molmil-images/mine/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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1GQA
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![BU of 1gqa by Molmil](/molmil-images/mine/1gqa) | |
1HKW
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![BU of 1hkw by Molmil](/molmil-images/mine/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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8QXQ
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![BU of 8qxq by Molmil](/molmil-images/mine/8qxq) | PsiM in complex with SAH and psilocybin | Descriptor: | CHLORIDE ION, Psilocybin synthase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Werten, S, Hudspeth, J, Rupp, B. | Deposit date: | 2023-10-24 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Methyl transfer in psilocybin biosynthesis. Nat Commun, 15, 2024
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8PB7
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![BU of 8pb7 by Molmil](/molmil-images/mine/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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8PB6
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![BU of 8pb6 by Molmil](/molmil-images/mine/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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8PB3
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![BU of 8pb3 by Molmil](/molmil-images/mine/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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8PB8
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![BU of 8pb8 by Molmil](/molmil-images/mine/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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8PB5
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![BU of 8pb5 by Molmil](/molmil-images/mine/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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8PB4
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![BU of 8pb4 by Molmil](/molmil-images/mine/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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1A8D
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![BU of 1a8d by Molmil](/molmil-images/mine/1a8d) | TETANUS TOXIN C FRAGMENT | Descriptor: | GOLD ION, TETANUS NEUROTOXIN | Authors: | Knapp, M, Rupp, B. | Deposit date: | 1998-03-23 | Release date: | 1998-10-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The 1.61 Angstrom Structure of the Tetanus Toxin Ganglioside Binding Region: Solved by MAD and Mir Phase Combination Am.Cryst.Assoc.,Abstr.Papers (Annual Meeting), 25, 1998
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5VER
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![BU of 5ver by Molmil](/molmil-images/mine/5ver) | MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2Z | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | Deposit date: | 2017-04-05 | Release date: | 2017-11-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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5VEP
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![BU of 5vep by Molmil](/molmil-images/mine/5vep) | MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2F | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | Deposit date: | 2017-04-05 | Release date: | 2017-11-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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