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2SOC
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BU of 2soc by Molmil
NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
Descriptor: SANDOSTATIN
Authors:Melacini, G, Zhu, Q, Goodman, M.
Deposit date:1996-11-26
Release date:1997-04-21
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Multiconformational NMR analysis of sandostatin (octreotide): equilibrium between beta-sheet and partially helical structures.
Biochemistry, 36, 1997
5IPE
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BU of 5ipe by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex
Descriptor: 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
5IPC
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BU of 5ipc by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside thiophosphoramidate substrate complex
Descriptor: 1,2-ETHANEDIOL, 5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine, CHLORIDE ION, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
5IPD
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BU of 5ipd by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate covalent intermediate complex
Descriptor: 5'-S-phosphono-5'-thioguanosine, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
2VKA
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BU of 2vka by Molmil
Site-Directed Mutagenesis of the Catalytic Tryptophan Environment in Pleurotus eryngii Versatile Peroxidase
Descriptor: CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ruiz-Duenas, F.J, Morales, M, Mate, M.J, Romero, A, Martinez, M.J, Smith, A, Martinez, A.T.
Deposit date:2007-12-18
Release date:2008-01-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Site-Directed Mutagenesis of the Catalytic Tryptophan Environment in Pleurotus Eryngii Versatile Peroxidase
Biochemistry, 47, 2008
3WNZ
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BU of 3wnz by Molmil
Crystal structure of Bacillus subtilis YwfE, an L-amino acid ligase, with bound ADP-Mg-Pi
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Alanine-anticapsin ligase BacD, MAGNESIUM ION, ...
Authors:Tsuda, T, Kojima, S.
Deposit date:2013-12-19
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Single Mutation Alters the Substrate Specificity of l-Amino Acid Ligase
Biochemistry, 53, 2014
2D2O
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BU of 2d2o by Molmil
Structure of a complex of Thermoactinomyces vulgaris R-47 alpha-amylase 2 with maltohexaose demonstrates the important role of aromatic residues at the reducing end of the substrate binding cleft
Descriptor: CALCIUM ION, Neopullulanase 2, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ohtaki, A, Mizuno, M, Yoshida, H, Tonozuka, T, Sakano, Y, Kamitori, S.
Deposit date:2005-09-13
Release date:2006-08-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a complex of Thermoactinomyces vulgaris R-47 alpha-amylase 2 with maltohexaose demonstrates the important role of aromatic residues at the reducing end of the substrate binding cleft
Carbohydr.Res., 341, 2006
3WO0
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BU of 3wo0 by Molmil
Crystal structure of Bacillus subtilis YwfE, an L-amino acid ligase, with bound ADP-Mg-Ala
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALANINE, Alanine-anticapsin ligase BacD, ...
Authors:Tsuda, T, Kojima, S.
Deposit date:2013-12-19
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single Mutation Alters the Substrate Specificity of l-Amino Acid Ligase
Biochemistry, 53, 2014
2J44
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BU of 2j44 by Molmil
Alpha-glucan binding by a streptococcal virulence factor
Descriptor: ALKALINE AMYLOPULLULANASE, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Lammerts van Bueren, A, Higgins, M, Wang, D, Burke, R.D, Boraston, A.B.
Deposit date:2006-08-24
Release date:2006-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and Structural Basis of Binding to Host Lung Glycogen by Streptococcal Virulence Factors.
Nat.Struct.Mol.Biol., 14, 2007
1QZ9
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BU of 1qz9 by Molmil
The Three Dimensional Structure of Kynureninase from Pseudomonas fluorescens
Descriptor: 3,6,9,12,15-PENTAOXAHEPTADECANE, CHLORIDE ION, KYNURENINASE, ...
Authors:Momany, C, Levdikov, V, Blagova, L, Lima, S, Phillips, R.S.
Deposit date:2003-09-16
Release date:2004-01-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Three-Dimensional Structure of Kynureninase from Pseudomonas fluorescens.
Biochemistry, 43, 2004
1QMT
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BU of 1qmt by Molmil
Recombinant Human Eosinophil Cationic Protein
Descriptor: EOSINOPHIL CATIONIC PROTEIN
Authors:Boix, E, Leonidas, D.D, Acharya, K.R.
Deposit date:1999-10-06
Release date:2000-02-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of Eosinophil Cationic Protein at 2.4 A Resolution
Biochemistry, 38, 1999
5CHY
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BU of 5chy by Molmil
STRUCTURE OF CHEMOTAXIS PROTEIN CHEY
Descriptor: CALCIUM ION, CHEY
Authors:Zhu, X, Rebello, J, Matsumura, P, Volz, K.
Deposit date:1996-08-29
Release date:1996-12-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of CheY mutants Y106W and T87I/Y106W. CheY activation correlates with movement of residue 106.
J.Biol.Chem., 272, 1997
1IIL
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BU of 1iil by Molmil
CRYSTAL STRUCTURE OF PRO253ARG APERT MUTANT FGF RECEPTOR 2 (FGFR2) IN COMPLEX WITH FGF2
Descriptor: FIBROBLAST GROWTH FACTOR RECEPTOR 2, HEPARIN-BINDING GROWTH FACTOR 2
Authors:Ibrahimi, O.A, Eliseenkova, A.V, Plotnikov, A.N, Ornitz, D.M, Mohammadi, M.
Deposit date:2001-04-23
Release date:2001-05-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for fibroblast growth factor receptor 2 activation in Apert syndrome.
Proc.Natl.Acad.Sci.USA, 98, 2001
1OKL
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BU of 1okl by Molmil
CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKL INHIBITOR 5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONAMIDE
Descriptor: 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Nair, S.K, Elbaum, D, Christianson, D.W.
Deposit date:1996-06-25
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unexpected binding mode of the sulfonamide fluorophore 5-dimethylamino-1-naphthalene sulfonamide to human carbonic anhydrase II. Implications for the development of a zinc biosensor.
J.Biol.Chem., 271, 1996
1H41
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BU of 1h41 by Molmil
Pseudomonas cellulosa E292A alpha-D-glucuronidase mutant complexed with aldotriuronic acid
Descriptor: 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid, ALPHA-GLUCURONIDASE, ...
Authors:Nurizzo, D, Nagy, T, Gilbert, H.J, Davies, G.J.
Deposit date:2002-09-25
Release date:2003-05-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Alpha-Glucuronidase,Glca67A,of Cellvibrio Japonicus Utilizes the Carboxylate and Methyl Groups of Aldobiouronic Acid as Important Substrate Recognition Determinants
J.Biol.Chem., 278, 2003
7CUE
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BU of 7cue by Molmil
Crystal structure of HID2 bound to human Hemoglobin
Descriptor: Amino acid ABC transporter substrate-binding protein, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Caaveiro, J.M.M, Hoshino, M, Tsumoto, K.
Deposit date:2020-08-22
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for the recognition of human hemoglobin by the Shr protein from Streptococcus pyogenes
To Be Published
1IMI
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BU of 1imi by Molmil
SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1
Descriptor: PROTEIN (ALPHA-CONOTOXIN IMI)
Authors:Maslennikov, I.V, Shenkarev, Z.O, Zhmak, M.N, Tsetlin, V.I, Ivanov, V.T, Arseniev, A.S.
Deposit date:1998-11-27
Release date:1999-04-23
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:NMR spatial structure of alpha-conotoxin ImI reveals a common scaffold in snail and snake toxins recognizing neuronal nicotinic acetylcholine receptors.
FEBS Lett., 444, 1999
1HWH
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BU of 1hwh by Molmil
1:1 COMPLEX OF HUMAN GROWTH HORMONE MUTANT G120R WITH ITS SOLUBLE BINDING PROTEIN
Descriptor: GROWTH HORMONE, GROWTH HORMONE BINDING PROTEIN
Authors:Sundstrom, S.M, Lundqvist, T.
Deposit date:1996-11-13
Release date:1997-11-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of an antagonist mutant of human growth hormone, G120R, in complex with its receptor at 2.9 A resolution.
J.Biol.Chem., 271, 1996
1S6V
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BU of 1s6v by Molmil
Structure of a cytochrome c peroxidase-cytochrome c site specific cross-link
Descriptor: Cytochrome c peroxidase, mitochondrial, Cytochrome c, ...
Authors:Guo, M, Bhaskar, B, Li, H, Barrows, T.P, Poulos, T.L.
Deposit date:2004-01-27
Release date:2004-04-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure and characterization of a cytochrome c peroxidase-cytochrome c site-specific cross-link
Proc.Natl.Acad.Sci.USA, 101, 2004
2EVQ
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BU of 2evq by Molmil
Solution structure of HP7, a 12-residue beta hairpin
Descriptor: HP7
Authors:Andersen, N.H, Olsen, K.A, Fesinmeyer, R.M.
Deposit date:2005-10-31
Release date:2006-03-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Minimization and Optimization of Designed beta-Hairpin Folds
J.Am.Chem.Soc., 128, 2006
1HWG
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BU of 1hwg by Molmil
1:2 COMPLEX OF HUMAN GROWTH HORMONE WITH ITS SOLUBLE BINDING PROTEIN
Descriptor: GROWTH HORMONE, GROWTH HORMONE BINDING PROTEIN
Authors:Sundstrom, S.M, Lundqvist, T.
Deposit date:1996-11-13
Release date:1997-11-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of an antagonist mutant of human growth hormone, G120R, in complex with its receptor at 2.9 A resolution.
J.Biol.Chem., 271, 1996
8P2W
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BU of 8p2w by Molmil
Structure of human SIT1 (focussed map / refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Sodium- and chloride-dependent transporter XTRP3
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2Z
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BU of 8p2z by Molmil
Structure of human SIT1 bound to L-pipecolate (focussed map / refinement)
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P30
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Structure of human SIT1:ACE2 complex (open PD conformation) bound to L-pipecolate
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2Y
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Structure of human SIT1:ACE2 complex (closed PD conformation)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024

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