7XNC
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![BU of 7xnc by Molmil](/molmil-images/mine/7xnc) | MEK1 bound to DS94070624 | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | Deposit date: | 2022-04-28 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma. Mol.Cancer Ther., 22, 2023
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6IMX
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![BU of 6imx by Molmil](/molmil-images/mine/6imx) | Crystal structure of V30M mutated transthyretin in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitors. J. Med. Chem., 62, 2019
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5O8M
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![BU of 5o8m by Molmil](/molmil-images/mine/5o8m) | |
1DY2
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![BU of 1dy2 by Molmil](/molmil-images/mine/1dy2) | Murine collagen alpha1(XV), endostatin domain | Descriptor: | COLLAGEN ALPHA1(XV) CHAIN, SULFATE ION | Authors: | Tisi, D, Hohenester, E, Sasaki, T, Timpl, R. | Deposit date: | 2000-01-21 | Release date: | 2001-01-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Endostatin Derived from Collagens Xv and Xviii Differ in Structural and Binding Properties, Tissue Distribution and Anti-Angiogenic Activity J.Mol.Biol., 301, 2000
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1DV6
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![BU of 1dv6 by Molmil](/molmil-images/mine/1dv6) | PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE WITH THE PROTON TRANSFER INHIBITOR ZN2+ | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CHLORIDE ION, ... | Authors: | Axelrod, H.L, Abresch, E.C, Paddock, M.L, Okamura, M.Y, Feher, G. | Deposit date: | 2000-01-19 | Release date: | 2000-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Determination of the binding sites of the proton transfer inhibitors Cd2+ and Zn2+ in bacterial reaction centers. Proc.Natl.Acad.Sci.USA, 97, 2000
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2ZNO
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![BU of 2zno by Molmil](/molmil-images/mine/2zno) | Human PPAR gamma ligand binding domain in complex with a synthetic agonist TIPP703 | Descriptor: | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Oyama, T, Waku, T, Kasuga, J, Miyachi, H, Morikawa, K. | Deposit date: | 2008-04-30 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures Acta Crystallogr.,Sect.D, 65, 2009
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3A6J
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![BU of 3a6j by Molmil](/molmil-images/mine/3a6j) | E122Q mutant creatininase complexed with creatine | Descriptor: | Creatinine amidohydrolase, N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE, SULFATE ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-09-02 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6D
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![BU of 3a6d by Molmil](/molmil-images/mine/3a6d) | Creatininase complexed with 1-methylguanidine | Descriptor: | 1-METHYLGUANIDINE, Creatinine amidohydrolase, MANGANESE (II) ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-08-31 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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7VHZ
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![BU of 7vhz by Molmil](/molmil-images/mine/7vhz) | Crystal structure of EP300 HAT domain in complex with compound 7 | Descriptor: | (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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7VHY
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![BU of 7vhy by Molmil](/molmil-images/mine/7vhy) | Crystal structure of EP300 HAT domain in complex with compound (+)-3 | Descriptor: | Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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7VI0
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![BU of 7vi0 by Molmil](/molmil-images/mine/7vi0) | Crystal structure of EP300 HAT domain in complex with compound 11 | Descriptor: | (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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1RFP
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![BU of 1rfp by Molmil](/molmil-images/mine/1rfp) | |
3A6H
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![BU of 3a6h by Molmil](/molmil-images/mine/3a6h) | W154A mutant creatininase | Descriptor: | CHLORIDE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-08-31 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6L
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![BU of 3a6l by Molmil](/molmil-images/mine/3a6l) | E122Q mutant creatininase, Zn-Zn type | Descriptor: | CHLORIDE ION, Creatinine amidohydrolase, ZINC ION | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-09-02 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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7EA4
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![BU of 7ea4 by Molmil](/molmil-images/mine/7ea4) | |
7EBY
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![BU of 7eby by Molmil](/molmil-images/mine/7eby) | |
2ZNN
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![BU of 2znn by Molmil](/molmil-images/mine/2znn) | Human PPAR alpha ligand binding domain in complex with a synthetic agonist TIPP703 | Descriptor: | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Oyama, T, Toyota, K, Kasuga, J, Miyachi, H, Morikawa, K. | Deposit date: | 2008-04-30 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures Acta Crystallogr.,Sect.D, 65, 2009
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2ZNQ
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![BU of 2znq by Molmil](/molmil-images/mine/2znq) | Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP401 | Descriptor: | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside | Authors: | Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K. | Deposit date: | 2008-04-30 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures Acta Crystallogr.,Sect.D, 65, 2009
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2ZNP
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![BU of 2znp by Molmil](/molmil-images/mine/2znp) | Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP204 | Descriptor: | (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside | Authors: | Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K. | Deposit date: | 2008-04-30 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures Acta Crystallogr.,Sect.D, 65, 2009
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7XAR
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![BU of 7xar by Molmil](/molmil-images/mine/7xar) | Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor | Descriptor: | 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | Authors: | Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A. | Deposit date: | 2022-03-18 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease. J.Med.Chem., 65, 2022
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3A6F
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![BU of 3a6f by Molmil](/molmil-images/mine/3a6f) | W174F mutant creatininase, Type II | Descriptor: | CACODYLATE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-08-31 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6G
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![BU of 3a6g by Molmil](/molmil-images/mine/3a6g) | W154F mutant creatininase | Descriptor: | Creatinine amidohydrolase, MANGANESE (II) ION, ZINC ION | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-08-31 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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4PFK
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![BU of 4pfk by Molmil](/molmil-images/mine/4pfk) | PHOSPHOFRUCTOKINASE. STRUCTURE AND CONTROL | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Evans, P.R, Hudson, P.J. | Deposit date: | 1988-01-25 | Release date: | 1989-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Phosphofructokinase: structure and control. Philos.Trans.R.Soc.London,Ser.B, 293, 1981
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3A6E
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![BU of 3a6e by Molmil](/molmil-images/mine/3a6e) | W174F mutant creatininase, type I | Descriptor: | CACODYLATE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-08-31 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6K
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![BU of 3a6k by Molmil](/molmil-images/mine/3a6k) | The E122Q mutant creatininase, Mn-Zn type | Descriptor: | CHLORIDE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-09-02 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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