6NOJ
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![BU of 6noj by Molmil](/molmil-images/mine/6noj) | PD-L1 IgV domain V76T with fragment | Descriptor: | Programmed cell death 1 ligand 1, methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate | Authors: | Zhao, B, Perry, E. | Deposit date: | 2019-01-16 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1). Bioorg. Med. Chem. Lett., 29, 2019
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6BW8
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![BU of 6bw8 by Molmil](/molmil-images/mine/6bw8) | Mcl-1 complexed with small molecules | Descriptor: | 7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2017-12-14 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J. Med. Chem., 61, 2018
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5OB5
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![BU of 5ob5 by Molmil](/molmil-images/mine/5ob5) | |
6BW2
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![BU of 6bw2 by Molmil](/molmil-images/mine/6bw2) | Mcl-1 complexed with small molecules | Descriptor: | 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2017-12-14 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J. Med. Chem., 61, 2018
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3TZO
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![BU of 3tzo by Molmil](/molmil-images/mine/3tzo) | |
2MY5
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![BU of 2my5 by Molmil](/molmil-images/mine/2my5) | Solution Structure of KstB-PCP in kosinostatin biosynthesis | Descriptor: | N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide, Peptidyl carrier protein | Authors: | Zhao, B, Lan, W, Wang, C, Tang, G, Cao, C. | Deposit date: | 2015-01-20 | Release date: | 2016-01-20 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | 1H and 15N Assigned Chemical Shifts for KstB-PCP To be Published
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2MY6
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![BU of 2my6 by Molmil](/molmil-images/mine/2my6) | |
8KIH
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![BU of 8kih by Molmil](/molmil-images/mine/8kih) | PhmA, a type I diterpene synthase without NST/DTE motif | Descriptor: | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, diterpene synthase, ... | Authors: | Zhang, B, Ge, H.M, Zhu, A, Zhang, Y. | Deposit date: | 2023-08-23 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biosynthesis of Platelet Activating Factor Antagonist Phomactins Revealing a New Class of Type I Diterpene Synthase To Be Published
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8KI5
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![BU of 8ki5 by Molmil](/molmil-images/mine/8ki5) | PhmA, a type I diterpene synthase without NST/DTE motif | Descriptor: | (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, PhmA | Authors: | Zhang, B, Ge, H.M, Zhu, A, Zhang, Y. | Deposit date: | 2023-08-22 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Biosynthesis of Platelet Activating Factor Antagonist Phomactins Revealing a New Class of Type I Diterpene Synthase To Be Published
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7JJ1
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![BU of 7jj1 by Molmil](/molmil-images/mine/7jj1) | |
7UAS
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![BU of 7uas by Molmil](/molmil-images/mine/7uas) | |
4HW2
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![BU of 4hw2 by Molmil](/molmil-images/mine/4hw2) | Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Zhao, B. | Deposit date: | 2012-11-07 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
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4HW3
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![BU of 4hw3 by Molmil](/molmil-images/mine/4hw3) | Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design | Descriptor: | 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2012-11-07 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
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8JA8
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![BU of 8ja8 by Molmil](/molmil-images/mine/8ja8) | |
8JAB
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![BU of 8jab by Molmil](/molmil-images/mine/8jab) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-06 | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol, SULFATE ION, Trehalose-binding lipoprotein LpqY | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAC
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![BU of 8jac by Molmil](/molmil-images/mine/8jac) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-16 | Descriptor: | N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide, SULFATE ION, Trehalose-binding lipoprotein LpqY, ... | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAD
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![BU of 8jad by Molmil](/molmil-images/mine/8jad) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-17 | Descriptor: | BENZOIC ACID, SULFATE ION, Trehalose-binding lipoprotein LpqY, ... | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JA7
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![BU of 8ja7 by Molmil](/molmil-images/mine/8ja7) | Cryo-EM structure of Mycobacterium tuberculosis LpqY-SugABC in complex with trehalose | Descriptor: | Trehalose import ATP-binding protein SugC, Trehalose transport system permease protein SugA, Trehalose transport system permease protein SugB, ... | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JA9
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![BU of 8ja9 by Molmil](/molmil-images/mine/8ja9) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-03 | Descriptor: | SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-10-04 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAA
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![BU of 8jaa by Molmil](/molmil-images/mine/8jaa) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04 | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol, SULFATE ION, Trehalose-binding lipoprotein LpqY | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-10-04 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8DJR
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![BU of 8djr by Molmil](/molmil-images/mine/8djr) | Cytosolic ascorbate peroxidase from Sorghum bicolor | Descriptor: | L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | Authors: | Zhang, B, Kang, C. | Deposit date: | 2022-07-01 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids. Plant Physiol., 192, 2023
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6DM8
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![BU of 6dm8 by Molmil](/molmil-images/mine/6dm8) | Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors | Descriptor: | 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog - MBP chimera, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Zhao, B. | Deposit date: | 2018-06-04 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Understanding the Species Selectivity of Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors. Biochemistry, 57, 2018
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8DJX
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![BU of 8djx by Molmil](/molmil-images/mine/8djx) | Cytosolic ascorbate peroxidase from Sorghum bicolor - Compound II | Descriptor: | L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | Authors: | Zhang, B, Kang, C. | Deposit date: | 2022-07-01 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids. Plant Physiol., 192, 2023
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8DJS
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8DJU
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![BU of 8dju by Molmil](/molmil-images/mine/8dju) | Cytosolic ascorbate peroxidase from Sorghum bicolor - bicyclic dehydroascorbic acid complex | Descriptor: | (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name), L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Zhang, B, Kang, C. | Deposit date: | 2022-07-01 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids. Plant Physiol., 192, 2023
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